data_2jow_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 2jow _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 ' 5' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -62.62 -20.37 64.7 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.363 1.245 . . . . 10.0 114.363 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.07 -7.14 74.24 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.711 1.148 . . . . 10.0 114.469 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -138.91 15.39 2.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.291 2.237 . . . . 10.0 112.586 -171.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -53.95 -44.33 70.6 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.944 1.697 . . . . 10.0 113.0 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -75.11 19.31 0.16 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.334 1.054 . . . . 10.0 113.829 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.35 -41.37 1.24 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.276 2.23 . . . . 10.0 110.617 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.79 -50.75 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 126.051 1.74 . . . . 10.0 112.516 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.2 t -74.89 -37.79 62.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.882 0.873 . . . . 10.0 110.653 169.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -14.81 27.31 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.03 -33.7 39.82 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.948 1.299 . . . . 10.0 112.253 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -39.2 85.74 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.81 1.644 . . . . 10.0 111.885 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.88 -15.75 63.22 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -169.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -106.02 -27.37 11.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.111 1.364 . . . . 10.0 113.688 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 0 O-C-N 120.884 -1.135 . . . . 10.0 112.23 171.466 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -69.91 -27.33 64.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.125 1.33 . . . . 10.0 111.433 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -43.98 18.87 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.857 0.863 . . . . 10.0 112.551 169.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.11 -47.1 84.29 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.937 1.695 . . . . 10.0 111.83 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -56.75 -44.79 82.07 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.454 1.102 . . . . 10.0 109.663 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.95 -52.08 67.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.114 1.366 . . . . 10.0 114.488 173.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -63.55 -37.75 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 119.461 1.028 . . . . 10.0 110.997 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 m -69.65 -27.87 65.41 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 123.763 0.825 . . . . 10.0 111.504 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.75 -29.59 40.57 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.696 -1.253 . . . . 10.0 111.019 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.13 93.55 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.702 -1.249 . . . . 10.0 109.414 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.69 -30.09 68.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.654 1.582 . . . . 10.0 113.312 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.37 -31.7 67.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 121.353 1.888 . . . . 10.0 109.367 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -75.22 -44.42 46.37 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.642 1.177 . . . . 10.0 111.381 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -19.73 61.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.041 -1.037 . . . . 10.0 111.792 -175.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.82 -23.14 36.66 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 125.762 1.625 . . . . 10.0 110.526 169.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.8 -52.41 7.53 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.775 2.43 . . . . 10.0 116.222 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -139.79 48.03 1.44 Allowed Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.412 2.285 . . . . 10.0 109.93 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.571 7.1 Cg_exo -16.03 -91.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 2 N-CA-C 123.912 4.543 . . . . 10.0 123.912 -165.542 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.2 p -74.91 9.47 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -48.47 107.24 0.72 Allowed Pre-proline 0 C--N 1.347 0.49 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 167.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.57 -24.29 42.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 114.706 1.002 . . . . 10.0 114.706 -167.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.68 95.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.036 0.834 . . . . 10.0 112.058 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.58 -43.59 20.37 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.158 1.17 . . . . 10.0 114.158 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -35.0 79.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.754 1.161 . . . . 10.0 109.698 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.9 -26.86 54.63 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.788 -1.195 . . . . 10.0 111.918 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.68 80.42 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.612 -0.68 . . . . 10.0 111.092 169.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -60.03 -54.99 39.47 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.205 1.002 . . . . 10.0 111.65 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -65.96 -24.33 66.78 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.768 0.794 . . . . 10.0 111.241 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -65.91 -52.0 53.73 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.617 1.167 . . . . 10.0 110.851 169.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.1 -37.1 84.93 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.887 1.275 . . . . 10.0 112.617 -177.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -38.42 62.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.432 3.093 . . . . 10.0 110.889 168.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -79.66 -40.81 28.28 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.889 0.876 . . . . 10.0 113.229 170.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.64 -32.75 69.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.125 0.875 . . . . 10.0 112.15 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.477 1.111 . . . . 10.0 110.788 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 5.9 t80 . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.09 90.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.022 2.129 . . . . 10.0 112.552 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.19 -43.47 78.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.424 1.49 . . . . 10.0 111.95 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.28 82.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.733 1.613 . . . . 10.0 111.045 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.02 22.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.581 2.353 . . . . 10.0 113.78 169.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 t -142.29 16.73 2.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.102 2.561 . . . . 10.0 110.303 168.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -122.88 -50.39 1.95 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 128.048 2.539 . . . . 10.0 110.321 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -49.33 -43.49 43.69 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.609 1.963 . . . . 10.0 113.263 169.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.7 t -54.35 -25.64 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 130.803 3.641 . . . . 10.0 113.846 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -116.18 11.79 15.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 130.539 3.536 . . . . 10.0 112.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.78 -33.05 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 129.187 2.995 . . . . 10.0 110.824 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 167.486 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -56.92 -22.6 38.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 171.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.52 -3.2 75.16 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.19 1.376 . . . . 10.0 114.819 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.94 7.05 2.69 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.931 2.092 . . . . 10.0 113.204 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.8 tp -53.48 -48.17 69.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.339 1.455 . . . . 10.0 113.492 -169.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 19.78 0.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -130.69 -45.1 1.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.996 2.118 . . . . 10.0 110.2 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.54 -48.99 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 126.274 1.829 . . . . 10.0 112.617 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 t -73.89 -48.18 32.74 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.123 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -21.84 14.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -50.28 -27.69 6.53 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.731 1.612 . . . . 10.0 113.622 169.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -19.64 62.93 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.4 3.08 . . . . 10.0 116.71 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.67 -28.96 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 119.765 3.246 . . . . 10.0 119.765 -167.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -101.23 -21.95 14.77 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.243 1.383 . . . . 10.0 114.433 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.069 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 173.189 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.445 -0.706 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -70.58 -27.04 63.82 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.083 1.31 . . . . 10.0 112.128 169.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -44.01 16.95 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.825 0.85 . . . . 10.0 112.322 169.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -57.56 -46.48 83.88 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.578 1.951 . . . . 10.0 111.767 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.68 -45.85 81.49 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.478 1.111 . . . . 10.0 109.808 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.88 -51.82 68.39 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.222 1.409 . . . . 10.0 114.453 173.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.29 -37.8 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 119.475 1.034 . . . . 10.0 111.042 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -68.45 -27.4 66.14 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 123.438 0.695 . . . . 10.0 111.34 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.67 -29.17 40.79 Favored 'General case' 0 N--CA 1.442 -0.84 0 O-C-N 120.822 -1.174 . . . . 10.0 111.368 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.79 94.78 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.69 -1.256 . . . . 10.0 109.161 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.93 -29.85 69.02 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.508 1.523 . . . . 10.0 113.225 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.12 -31.87 69.33 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.396 1.907 . . . . 10.0 109.231 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -74.74 -44.58 49.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.728 1.211 . . . . 10.0 111.228 169.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -19.74 61.65 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 122.227 1.013 . . . . 10.0 111.828 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.58 36.62 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.869 1.667 . . . . 10.0 110.435 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -52.92 6.94 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.772 2.429 . . . . 10.0 116.12 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -140.05 48.3 1.46 Allowed Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 127.304 2.242 . . . . 10.0 110.041 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.572 7.1 Cg_exo -16.0 -90.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 2 N-CA-C 123.843 4.517 . . . . 10.0 123.843 -165.53 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.84 10.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.985 1.106 . . . . 10.0 113.985 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.79 107.42 0.76 Allowed Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.646 -1.983 . . . . 10.0 105.646 167.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.13 -22.93 46.46 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 N-CA-C 115.785 1.417 . . . . 10.0 115.785 -166.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.18 74.1 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.871 0.76 . . . . 10.0 112.282 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.15 -41.95 24.39 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.119 0.872 . . . . 10.0 113.113 170.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -44.57 95.66 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 117.746 -1.121 . . . . 10.0 108.543 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.01 -19.82 60.52 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 122.198 2.272 . . . . 10.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.82 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.365 0.984 . . . . 10.0 109.636 168.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -61.34 -51.03 70.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 123.897 0.879 . . . . 10.0 110.014 168.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -55.19 -31.4 61.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.357 1.063 . . . . 10.0 112.052 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -72.79 -50.91 21.29 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.318 1.047 . . . . 10.0 111.966 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -65.77 -35.65 81.32 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 124.312 1.045 . . . . 10.0 112.33 -177.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.19 -38.05 65.2 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.536 3.134 . . . . 10.0 111.048 168.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -80.07 -41.12 26.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.69 0.796 . . . . 10.0 112.779 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.93 -33.24 70.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.048 0.84 . . . . 10.0 112.155 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 C-N-CA 124.5 1.12 . . . . 10.0 110.744 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.2 t80 . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 107.79 -1.189 . . . . 10.0 107.79 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.06 93.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.379 2.271 . . . . 10.0 112.526 174.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.93 -42.96 80.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.494 1.518 . . . . 10.0 111.864 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.71 82.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.802 1.641 . . . . 10.0 110.656 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -76.19 27.11 0.12 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.666 2.387 . . . . 10.0 113.741 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t -144.83 12.95 1.47 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.695 2.798 . . . . 10.0 110.378 168.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -121.49 -51.07 2.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.209 2.604 . . . . 10.0 110.294 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -50.38 -43.36 54.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.597 1.959 . . . . 10.0 113.164 169.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.17 -28.61 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 130.502 3.521 . . . . 10.0 113.584 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -113.98 12.65 18.08 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 130.454 3.502 . . . . 10.0 112.334 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.65 -34.04 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 C-N-CA 129.157 2.983 . . . . 10.0 110.841 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 167.252 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 115.055 1.502 . . . . 10.0 115.055 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -66.46 -5.44 11.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.73 1.381 . . . . 10.0 114.73 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 13.92 9.63 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.162 1.839 . . . . 10.0 114.43 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -148.98 -36.57 0.17 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.101 1.45 . . . . 10.0 114.674 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.69 -40.08 65.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.414 1.886 . . . . 10.0 112.594 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.43 -12.82 16.1 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.93 -13.4 15.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.077 1.351 . . . . 10.0 113.525 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -97.72 -51.32 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.601 2.361 . . . . 10.0 111.784 -176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.62 -38.87 90.66 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.403 1.081 . . . . 10.0 111.064 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.73 61.89 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.341 0.867 . . . . 10.0 113.341 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -56.68 -45.95 81.45 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.917 -1.115 . . . . 10.0 110.991 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -5.59 1.46 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.588 2.355 . . . . 10.0 114.415 170.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -121.26 -5.34 9.42 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.35 2.26 . . . . 10.0 114.883 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 t -138.93 -31.83 0.7 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.297 1.591 . . . . 10.0 115.297 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.066 0 N-CA-C 109.004 -1.638 . . . . 10.0 109.004 168.538 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.94 -28.64 64.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.0 1.273 . . . . 10.0 111.551 168.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -44.68 17.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.571 0.748 . . . . 10.0 112.157 169.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.68 -45.23 81.85 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.756 1.622 . . . . 10.0 111.903 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t -58.92 -45.05 91.29 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.071 0.948 . . . . 10.0 110.036 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -57.24 -52.08 66.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.194 1.397 . . . . 10.0 114.067 171.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.21 -37.58 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.438 1.017 . . . . 10.0 111.237 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 m -68.97 -27.71 65.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.445 0.698 . . . . 10.0 111.228 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.2 -28.74 42.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.721 -1.237 . . . . 10.0 111.237 174.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.75 92.03 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.625 -1.297 . . . . 10.0 109.403 167.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.98 -29.4 67.6 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.759 1.624 . . . . 10.0 113.345 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.76 -31.42 68.34 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.299 1.863 . . . . 10.0 109.238 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.91 -44.39 40.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.963 1.305 . . . . 10.0 111.278 169.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -19.65 61.78 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.086 -1.009 . . . . 10.0 111.898 -175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.58 -23.11 34.58 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 125.915 1.686 . . . . 10.0 110.451 169.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 -51.74 8.32 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.775 2.43 . . . . 10.0 116.094 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -140.76 47.46 1.11 Allowed Pre-proline 0 N--CA 1.489 1.516 0 C-N-CA 127.377 2.271 . . . . 10.0 109.748 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.566 7.5 Cg_exo -16.2 -90.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 2 N-CA-C 123.897 4.537 . . . . 10.0 123.897 -165.481 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.45 10.62 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 119.516 1.053 . . . . 10.0 113.802 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -49.48 106.85 0.68 Allowed Pre-proline 0 C--N 1.347 0.488 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 167.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.99 -24.54 45.39 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 N-CA-C 114.917 1.084 . . . . 10.0 114.917 -167.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.31 95.22 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.889 0.768 . . . . 10.0 112.122 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.46 -42.99 21.63 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 171.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -34.66 78.6 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.701 1.137 . . . . 10.0 109.892 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.12 56.71 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.858 1.208 . . . . 10.0 111.764 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.96 81.91 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.152 0.887 . . . . 10.0 111.313 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -61.1 -55.17 35.65 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.21 -0.931 . . . . 10.0 111.535 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.254 0.0 OUTLIER -66.35 -21.63 66.25 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.758 0.661 . . . . 10.0 111.463 -176.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -69.21 -52.78 24.37 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 125.297 1.439 . . . . 10.0 110.744 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -64.8 -37.26 87.0 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 125.037 1.335 . . . . 10.0 112.66 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -38.14 60.81 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 129.551 3.14 . . . . 10.0 111.114 169.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -80.13 -41.25 25.79 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 123.581 0.752 . . . . 10.0 112.955 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.38 -32.63 67.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.073 0.851 . . . . 10.0 112.184 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 124.526 1.13 . . . . 10.0 111.109 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 9.6 t80 . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 107.694 -1.224 . . . . 10.0 107.694 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -38.0 84.91 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.661 2.384 . . . . 10.0 112.741 174.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -69.39 -45.6 68.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.691 1.597 . . . . 10.0 112.213 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.1 82.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.718 1.607 . . . . 10.0 110.965 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -78.44 30.48 0.19 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.539 1.936 . . . . 10.0 114.229 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.7 t -145.48 18.22 1.51 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.683 3.193 . . . . 10.0 110.362 168.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -130.41 -47.29 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.996 2.519 . . . . 10.0 111.444 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 t -54.69 -37.35 65.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.997 1.719 . . . . 10.0 113.17 168.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.5 t -50.93 -25.81 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 130.694 3.598 . . . . 10.0 113.483 170.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -120.0 12.15 11.9 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.624 3.57 . . . . 10.0 111.928 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 t -113.3 -31.05 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 130.221 3.409 . . . . 10.0 110.385 169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.654 1.182 . . . . 10.0 108.881 167.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -63.02 -19.29 64.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.064 1.135 . . . . 10.0 114.064 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.38 -2.84 87.3 Favored Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.49 1.519 . . . . 10.0 114.617 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.41 -12.76 2.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.865 2.066 . . . . 10.0 113.915 -174.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.56 -50.34 60.27 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.684 1.593 . . . . 10.0 113.63 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.38 16.81 0.56 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.086 0.955 . . . . 10.0 113.53 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.91 -40.64 2.02 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.931 2.092 . . . . 10.0 110.267 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.77 -55.07 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 126.028 1.731 . . . . 10.0 112.513 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -68.13 -36.32 79.51 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.6 0.76 . . . . 10.0 111.044 171.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.84 -29.23 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 -173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -56.14 -24.87 43.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.707 1.203 . . . . 10.0 113.433 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.67 -3.76 38.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.212 2.605 . . . . 10.0 114.714 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.79 -17.16 21.0 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.809 1.781 . . . . 10.0 115.809 -169.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -98.28 -25.68 14.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.06 1.344 . . . . 10.0 114.291 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.362 0 O-C-N 121.213 -0.929 . . . . 10.0 111.703 175.762 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -69.94 -27.03 64.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.541 1.519 . . . . 10.0 111.038 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.73 17.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.937 0.895 . . . . 10.0 112.415 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.94 -46.59 84.8 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.802 1.641 . . . . 10.0 111.862 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.72 -44.85 82.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.437 1.095 . . . . 10.0 109.937 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -59.33 -51.63 69.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.207 1.403 . . . . 10.0 114.32 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.64 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 119.491 1.041 . . . . 10.0 110.963 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 m -69.74 -27.96 65.39 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 123.605 0.762 . . . . 10.0 111.448 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.09 -29.68 43.45 Favored 'General case' 0 N--CA 1.444 -0.768 0 O-C-N 120.801 -1.187 . . . . 10.0 111.145 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.82 92.49 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.716 -1.24 . . . . 10.0 109.562 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.08 -29.93 68.13 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.674 1.59 . . . . 10.0 113.177 169.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.52 -31.99 68.43 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 121.408 1.913 . . . . 10.0 109.144 171.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.13 -44.43 47.07 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.63 1.172 . . . . 10.0 111.431 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -19.77 61.66 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.993 -1.067 . . . . 10.0 111.828 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.92 -23.32 36.28 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.963 1.705 . . . . 10.0 110.455 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -52.14 7.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.796 2.438 . . . . 10.0 116.248 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -140.08 46.63 1.03 Allowed Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 127.361 2.264 . . . . 10.0 110.126 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.579 6.6 Cg_exo -14.9 -91.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 2 N-CA-C 123.99 4.573 . . . . 10.0 123.99 -165.526 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.82 9.46 1.86 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -48.26 107.63 0.78 Allowed Pre-proline 0 C--N 1.347 0.465 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.17 -23.82 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 N-CA-C 114.809 1.042 . . . . 10.0 114.809 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.75 93.44 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.932 0.787 . . . . 10.0 111.947 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.56 -43.35 20.8 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.102 1.149 . . . . 10.0 114.102 171.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -34.8 78.76 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.787 1.176 . . . . 10.0 109.837 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.33 55.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 119.748 1.158 . . . . 10.0 111.79 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.25 79.56 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.21 -0.931 . . . . 10.0 111.33 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.44 -55.26 33.22 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 123.927 0.891 . . . . 10.0 111.557 170.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.257 0.0 OUTLIER -65.98 -24.64 66.83 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.802 0.811 . . . . 10.0 111.25 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.3 m -66.86 -50.64 61.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 124.834 1.253 . . . . 10.0 111.125 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.35 -37.67 83.62 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.417 1.087 . . . . 10.0 112.646 -178.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -39.96 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.296 3.038 . . . . 10.0 110.094 168.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -77.15 -42.21 38.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 171.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -58.57 -33.92 70.48 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.435 1.016 . . . . 10.0 112.27 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 124.257 1.023 . . . . 10.0 110.563 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 1.8 t80 . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -35.23 80.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.708 2.403 . . . . 10.0 113.002 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.05 -45.87 69.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.288 1.835 . . . . 10.0 111.027 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.29 88.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.132 1.773 . . . . 10.0 110.789 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 27.89 0.19 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.418 2.287 . . . . 10.0 113.306 168.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -144.5 18.32 1.69 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.912 2.885 . . . . 10.0 109.708 168.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -121.75 -51.76 2.03 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 128.027 2.531 . . . . 10.0 110.208 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -53.35 -38.83 63.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.703 2.001 . . . . 10.0 114.325 169.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -44.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 128.561 2.744 . . . . 10.0 111.458 172.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.09 8.02 9.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 129.157 2.983 . . . . 10.0 113.258 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.27 -34.86 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 128.377 2.671 . . . . 10.0 111.234 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.159 -1.422 . . . . 10.0 107.159 166.568 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 m0 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -57.81 -21.92 44.63 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.373 1.249 . . . . 10.0 114.373 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.49 -5.41 78.99 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.959 1.266 . . . . 10.0 114.823 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -140.48 8.34 2.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.945 2.098 . . . . 10.0 113.076 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -46.07 -49.64 16.18 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.972 2.109 . . . . 10.0 114.507 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.37 12.59 1.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.964 1.098 . . . . 10.0 113.964 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -140.24 10.94 2.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.973 1.709 . . . . 10.0 112.027 169.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.33 -59.19 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 126.378 1.871 . . . . 10.0 110.765 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -66.43 -50.36 63.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.915 0.886 . . . . 10.0 110.191 169.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.71 59.2 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.16 1.17 . . . . 10.0 114.16 -171.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.97 -41.88 64.98 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.241 1.416 . . . . 10.0 110.701 169.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.37 -55.46 7.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.688 1.195 . . . . 10.0 110.909 168.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -29.36 68.43 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.533 2.049 . . . . 10.0 116.533 -169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -88.97 -30.68 18.6 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.403 -0.811 . . . . 10.0 113.077 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 O-C-N 121.457 -0.777 . . . . 10.0 111.723 178.297 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 113.855 1.058 . . . . 10.0 113.855 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.91 -27.86 65.13 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 120.13 1.332 . . . . 10.0 112.409 169.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -44.56 18.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.681 0.792 . . . . 10.0 112.357 169.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -57.55 -46.74 83.54 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 126.892 2.077 . . . . 10.0 111.646 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.74 -46.5 81.34 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.469 1.108 . . . . 10.0 109.714 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.28 -51.82 68.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.265 1.426 . . . . 10.0 114.48 173.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.99 -37.67 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.396 0.998 . . . . 10.0 110.973 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 m -68.08 -27.64 66.67 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.534 0.734 . . . . 10.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -78.96 -29.0 43.72 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.867 -1.145 . . . . 10.0 111.186 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.91 93.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.608 -1.307 . . . . 10.0 109.306 167.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.45 -29.65 69.17 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.516 1.526 . . . . 10.0 113.4 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.48 -31.4 69.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 121.164 1.802 . . . . 10.0 109.136 172.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -75.46 -44.76 42.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.887 1.275 . . . . 10.0 111.152 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -19.7 61.62 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.025 -1.047 . . . . 10.0 111.798 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.9 37.02 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.948 1.699 . . . . 10.0 110.435 169.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.93 8.06 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.69 2.396 . . . . 10.0 116.164 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -141.34 49.13 1.4 Allowed Pre-proline 0 N--CA 1.49 1.563 0 C-N-CA 127.309 2.244 . . . . 10.0 109.682 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.565 7.3 Cg_exo -17.17 -90.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.187 2 N-CA-C 123.79 4.496 . . . . 10.0 123.79 -165.601 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -76.06 10.53 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 119.699 1.136 . . . . 10.0 113.815 -169.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -49.22 106.92 0.68 Allowed Pre-proline 0 N--CA 1.469 0.493 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 167.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -66.24 -24.18 51.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 N-CA-C 115.9 1.462 . . . . 10.0 115.9 -166.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.3 77.92 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.853 0.751 . . . . 10.0 112.388 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.2 -42.38 23.43 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.038 0.835 . . . . 10.0 112.979 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.15 97.0 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 117.621 -1.18 . . . . 10.0 108.519 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.88 -19.93 60.56 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.258 2.299 . . . . 10.0 112.521 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.63 79.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.332 0.969 . . . . 10.0 109.761 168.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -61.54 -51.02 70.31 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 123.844 0.858 . . . . 10.0 109.974 168.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -54.6 -31.42 57.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.474 1.11 . . . . 10.0 112.084 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -50.57 21.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.189 0.996 . . . . 10.0 112.243 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.42 -34.25 76.85 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 124.2 1.0 . . . . 10.0 112.326 -178.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -43.24 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 129.205 3.002 . . . . 10.0 109.996 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -73.52 -42.21 62.04 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.561 0.745 . . . . 10.0 112.898 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.37 72.47 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.328 -0.858 . . . . 10.0 112.387 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.445 0 C-N-CA 123.929 0.892 . . . . 10.0 110.242 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 14.3 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 107.679 -1.23 . . . . 10.0 107.679 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -35.78 81.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.186 2.194 . . . . 10.0 113.466 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.41 -45.15 80.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.638 1.575 . . . . 10.0 110.741 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.95 98.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.118 1.767 . . . . 10.0 111.189 170.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -79.28 30.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.027 2.131 . . . . 10.0 113.588 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.18 17.77 1.38 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.291 3.037 . . . . 10.0 109.949 168.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -125.33 -51.02 1.64 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 127.361 2.265 . . . . 10.0 110.441 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -51.94 -41.04 61.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.378 1.871 . . . . 10.0 113.791 169.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.9 -29.81 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 130.317 3.447 . . . . 10.0 113.448 170.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -113.14 14.4 19.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 130.352 3.461 . . . . 10.0 112.544 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -34.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 129.308 3.043 . . . . 10.0 110.332 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 CA--C 1.551 1.012 0 N-CA-C 107.443 -1.317 . . . . 10.0 107.443 166.595 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 114.925 1.454 . . . . 10.0 114.925 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -58.78 -22.95 59.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.907 1.283 . . . . 10.0 114.415 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 -3.7 82.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.633 1.111 . . . . 10.0 114.767 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -142.24 7.13 1.76 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.447 2.299 . . . . 10.0 113.098 -170.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 tp -48.73 -51.24 29.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.307 1.843 . . . . 10.0 114.65 -168.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.15 10.33 1.59 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.375 1.25 . . . . 10.0 114.375 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -122.87 -32.14 3.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.225 1.81 . . . . 10.0 111.343 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -82.59 -60.87 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 126.016 1.726 . . . . 10.0 111.903 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -60.84 -39.2 88.18 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.873 0.869 . . . . 10.0 110.962 172.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.74 69.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -58.87 -29.23 66.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.421 1.088 . . . . 10.0 112.806 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.61 -28.8 15.19 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.654 2.382 . . . . 10.0 112.872 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.31 -19.92 16.52 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.014 1.857 . . . . 10.0 116.014 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -95.0 -25.98 16.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.144 1.165 . . . . 10.0 114.144 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 O-C-N 121.015 -1.053 . . . . 10.0 111.573 176.533 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.35 -23.35 62.79 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.035 1.289 . . . . 10.0 110.943 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.381 0.4 OUTLIER -85.53 -42.64 14.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.467 0.707 . . . . 10.0 112.285 168.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -55.61 -47.86 75.84 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 126.577 1.951 . . . . 10.0 111.799 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.4 -45.19 84.81 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 124.539 1.136 . . . . 10.0 109.888 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -59.3 -50.12 75.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.549 1.54 . . . . 10.0 114.213 173.473 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.54 -38.49 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 119.458 1.026 . . . . 10.0 110.638 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.9 m -68.31 -27.47 66.32 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.581 0.752 . . . . 10.0 111.268 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.93 -29.44 39.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.997 -1.065 . . . . 10.0 111.021 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.2 96.38 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.75 -1.218 . . . . 10.0 109.23 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.99 -29.86 68.98 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.467 1.507 . . . . 10.0 113.181 169.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.94 -33.38 70.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 121.544 1.975 . . . . 10.0 109.182 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -72.71 -44.16 62.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.538 1.135 . . . . 10.0 111.236 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.95 -19.95 61.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.01 -1.056 . . . . 10.0 111.855 -175.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.63 38.44 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 125.984 1.714 . . . . 10.0 110.242 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.32 -53.47 6.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.031 2.533 . . . . 10.0 116.533 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -139.56 49.04 1.81 Allowed Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 127.407 2.283 . . . . 10.0 109.544 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.568 6.7 Cg_exo -17.09 -89.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 2 N-CA-C 123.863 4.524 . . . . 10.0 123.863 -165.593 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 10.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.548 1.067 . . . . 10.0 113.876 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.35 107.09 0.71 Allowed Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 167.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.6 -23.95 48.97 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 N-CA-C 115.956 1.483 . . . . 10.0 115.956 -166.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.5 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.793 0.724 . . . . 10.0 112.237 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.22 -41.95 24.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.177 0.899 . . . . 10.0 112.564 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -45.26 92.96 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 117.84 -1.076 . . . . 10.0 108.699 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.01 -19.83 60.51 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 121.925 2.148 . . . . 10.0 112.229 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.18 78.26 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.499 1.045 . . . . 10.0 109.81 168.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -61.69 -52.71 63.2 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 118.649 -0.691 . . . . 10.0 109.623 168.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -54.23 -31.7 54.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 10.0 112.197 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.4 m -72.35 -55.25 7.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.074 0.95 . . . . 10.0 111.586 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -63.06 -37.36 86.88 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.627 1.171 . . . . 10.0 112.126 -177.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.32 -42.32 61.13 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 129.349 3.06 . . . . 10.0 110.942 168.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -78.34 -41.99 31.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.704 0.801 . . . . 10.0 112.615 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -57.99 -35.16 70.82 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 118.779 0.718 . . . . 10.0 111.548 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 C-N-CA 124.848 1.259 . . . . 10.0 110.243 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -42.2 99.45 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 128.271 2.628 . . . . 10.0 112.704 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.79 -44.23 81.85 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.345 1.458 . . . . 10.0 111.553 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.83 90.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.699 1.6 . . . . 10.0 110.719 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 25.34 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.095 1.758 . . . . 10.0 114.751 169.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t -143.39 16.05 1.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 128.82 2.848 . . . . 10.0 110.394 168.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.98 -49.65 1.96 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.012 2.525 . . . . 10.0 110.219 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 t -49.75 -42.93 47.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.669 1.988 . . . . 10.0 113.246 169.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.5 -26.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 130.793 3.637 . . . . 10.0 113.704 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -113.95 11.93 17.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 130.446 3.498 . . . . 10.0 112.046 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.7 t -114.11 -33.77 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 129.111 2.964 . . . . 10.0 110.945 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 167.415 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 113.518 0.932 . . . . 10.0 113.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.52 -1.74 3.95 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.498 1.295 . . . . 10.0 114.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.11 23.68 4.61 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.052 1.787 . . . . 10.0 113.683 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -150.08 -43.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.699 1.599 . . . . 10.0 113.56 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.94 -37.15 68.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.336 1.854 . . . . 10.0 112.444 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.83 -16.42 40.89 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -97.4 -34.88 10.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.301 1.04 . . . . 10.0 112.888 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.9 t -71.46 -55.68 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.304 1.841 . . . . 10.0 111.591 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -65.62 -29.16 69.71 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.577 1.151 . . . . 10.0 112.226 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.16 -24.45 67.69 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.932 -1.105 . . . . 10.0 113.378 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -62.47 -35.19 78.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.041 0.936 . . . . 10.0 112.375 170.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -49.43 60.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.58 1.152 . . . . 10.0 108.492 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.98 -24.77 55.69 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.055 1.872 . . . . 10.0 116.055 -171.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -98.26 -28.04 13.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.017 1.118 . . . . 10.0 114.017 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.099 0 O-C-N 120.969 -1.082 . . . . 10.0 111.964 174.475 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 N--CA 1.445 -0.706 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -26.97 64.61 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 120.064 1.302 . . . . 10.0 111.891 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.3 -43.61 18.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.801 0.84 . . . . 10.0 112.506 169.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.94 -47.11 83.85 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 126.416 1.886 . . . . 10.0 111.784 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.8 -45.39 82.26 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.557 1.143 . . . . 10.0 109.758 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.76 68.46 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.142 1.377 . . . . 10.0 114.482 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.45 -37.85 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.494 1.043 . . . . 10.0 111.033 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -67.71 -27.45 66.82 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 123.575 0.75 . . . . 10.0 111.331 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.83 -28.2 40.16 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 120.826 -1.171 . . . . 10.0 111.427 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.25 91.83 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.406 -1.434 . . . . 10.0 109.121 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -67.96 -29.82 68.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.455 1.502 . . . . 10.0 113.274 169.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.37 -31.94 68.11 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.421 1.919 . . . . 10.0 109.441 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -75.11 -44.61 46.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.814 1.246 . . . . 10.0 111.357 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -19.73 61.69 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 122.212 1.005 . . . . 10.0 111.859 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.85 -22.98 36.66 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.814 1.645 . . . . 10.0 110.444 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -52.42 7.54 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.792 2.437 . . . . 10.0 116.235 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -140.53 48.77 1.48 Allowed Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 127.378 2.271 . . . . 10.0 109.653 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.564 7.4 Cg_exo -16.87 -90.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 2 N-CA-C 123.862 4.524 . . . . 10.0 123.862 -165.539 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.92 10.57 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 119.581 1.082 . . . . 10.0 113.848 -169.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.19 106.68 0.65 Allowed Pre-proline 0 N--CA 1.469 0.517 0 N-CA-C 105.816 -1.92 . . . . 10.0 105.816 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.09 -23.87 52.81 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 N-CA-C 115.993 1.497 . . . . 10.0 115.993 -166.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.82 76.1 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.873 0.76 . . . . 10.0 112.583 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.14 -42.0 24.34 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.151 0.887 . . . . 10.0 112.942 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -44.6 94.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 117.705 -1.141 . . . . 10.0 108.243 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.05 -19.86 60.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 122.249 2.295 . . . . 10.0 112.434 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.17 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.412 1.005 . . . . 10.0 109.697 168.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.83 -51.34 69.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.96 0.904 . . . . 10.0 109.923 168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -54.79 -31.19 58.65 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.378 1.071 . . . . 10.0 112.09 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -73.57 -50.24 22.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.199 1.0 . . . . 10.0 112.067 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.82 -36.15 81.71 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 124.263 1.025 . . . . 10.0 112.047 -177.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.16 -40.55 61.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.354 3.062 . . . . 10.0 110.474 168.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 m -78.69 -41.18 31.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.987 0.915 . . . . 10.0 113.108 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -58.81 -34.5 71.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.33 0.968 . . . . 10.0 112.156 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 C-N-CA 124.349 1.06 . . . . 10.0 110.369 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.3 t80 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -35.32 80.07 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.098 2.159 . . . . 10.0 113.43 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.1 -44.49 76.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.643 1.577 . . . . 10.0 110.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.26 97.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.593 1.557 . . . . 10.0 111.353 170.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -81.78 33.36 0.37 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.209 1.804 . . . . 10.0 114.179 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 t -137.92 -24.66 1.01 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 129.787 3.235 . . . . 10.0 109.88 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -75.33 -52.4 10.91 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.12 1.768 . . . . 10.0 113.925 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -52.06 -40.47 61.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.782 2.033 . . . . 10.0 114.273 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -57.78 -30.77 38.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 129.716 3.206 . . . . 10.0 112.179 173.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.56 11.89 38.52 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 129.952 3.301 . . . . 10.0 113.954 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.5 t -114.78 -35.11 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 128.638 2.775 . . . . 10.0 111.16 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 108.388 -0.967 . . . . 10.0 108.388 167.477 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.928 1.084 . . . . 10.0 113.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -59.06 -18.23 33.01 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.67 -0.21 64.66 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.397 1.475 . . . . 10.0 114.802 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.2 -12.78 1.4 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.165 1.786 . . . . 10.0 113.719 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -40.26 -52.55 2.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.654 2.782 . . . . 10.0 114.605 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.47 8.36 2.89 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.233 1.197 . . . . 10.0 114.233 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.37 0.63 6.33 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.572 1.549 . . . . 10.0 112.43 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -112.55 -62.29 2.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 C-N-CA 127.102 2.161 . . . . 10.0 110.702 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -61.88 -33.93 75.1 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.186 0.994 . . . . 10.0 111.938 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -15.34 47.92 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.968 1.099 . . . . 10.0 113.968 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -55.62 -38.29 69.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.058 0.943 . . . . 10.0 111.69 169.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.6 83.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.958 1.303 . . . . 10.0 111.64 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -18.39 58.04 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.978 1.473 . . . . 10.0 114.978 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -109.84 -24.83 10.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.414 1.485 . . . . 10.0 114.163 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.087 0 O-C-N 120.691 -1.256 . . . . 10.0 112.547 171.335 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -70.28 -27.09 64.14 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 120.129 1.331 . . . . 10.0 111.525 168.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -44.87 17.31 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.064 0.946 . . . . 10.0 112.399 169.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.46 -47.81 78.4 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.877 1.671 . . . . 10.0 112.01 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.65 -44.59 81.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.377 1.071 . . . . 10.0 109.891 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.62 -51.99 67.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.201 1.4 . . . . 10.0 114.474 172.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -37.53 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 119.489 1.04 . . . . 10.0 111.058 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -69.83 -27.93 65.27 Favored 'General case' 0 C--O 1.219 -0.54 0 C-N-CA 123.852 0.861 . . . . 10.0 111.527 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -79.44 -29.23 41.74 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 120.777 -1.202 . . . . 10.0 110.986 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.64 91.73 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.636 -1.29 . . . . 10.0 109.461 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.87 -29.97 68.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.657 1.583 . . . . 10.0 113.288 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.39 -31.47 67.71 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 121.31 1.868 . . . . 10.0 109.221 171.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.93 -44.44 40.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.846 1.258 . . . . 10.0 111.482 169.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -19.79 61.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.994 -1.066 . . . . 10.0 111.801 -175.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.65 -23.33 37.0 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.848 1.659 . . . . 10.0 110.44 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -52.15 7.81 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.735 2.414 . . . . 10.0 116.12 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -140.27 47.63 1.23 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 127.286 2.234 . . . . 10.0 110.089 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.573 6.6 Cg_exo -15.94 -91.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.104 2 N-CA-C 123.931 4.551 . . . . 10.0 123.931 -165.444 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.92 9.54 1.86 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.998 1.11 . . . . 10.0 113.998 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -48.49 107.6 0.78 Allowed Pre-proline 0 N--CA 1.469 0.499 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 167.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.01 -24.01 39.73 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 N-CA-C 114.65 0.981 . . . . 10.0 114.65 -167.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.82 94.13 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.033 0.833 . . . . 10.0 111.959 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 -43.59 20.51 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.173 1.175 . . . . 10.0 114.173 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.85 78.81 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.797 1.181 . . . . 10.0 109.732 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.84 -27.3 55.07 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.721 -1.237 . . . . 10.0 112.008 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.43 77.76 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.45 -0.781 . . . . 10.0 111.26 169.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.12 -54.98 37.81 Favored 'General case' 0 CA--C 1.503 -0.861 0 O-C-N 121.158 -0.964 . . . . 10.0 111.69 170.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -65.87 -24.83 66.95 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.846 0.831 . . . . 10.0 111.146 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -66.6 -50.25 63.65 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.452 1.101 . . . . 10.0 111.127 169.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.05 -37.54 84.25 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.561 1.145 . . . . 10.0 112.798 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -37.82 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 129.381 3.072 . . . . 10.0 110.557 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -79.4 -41.22 28.2 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -58.28 -34.2 70.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.506 1.048 . . . . 10.0 112.088 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 124.325 1.05 . . . . 10.0 110.681 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.3 t80 . . . . . 0 CA--C 1.552 1.045 0 CA-C-O 122.397 1.094 . . . . 10.0 108.359 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -39.73 89.02 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.47 2.308 . . . . 10.0 113.35 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -66.42 -40.3 89.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.506 1.522 . . . . 10.0 111.124 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -60.9 -41.35 95.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.219 1.408 . . . . 10.0 110.833 170.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -76.89 32.23 0.14 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.045 2.138 . . . . 10.0 114.452 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 60' ' ' ALA . 23.0 t -140.98 -38.6 0.42 Allowed 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.099 2.959 . . . . 10.0 108.208 168.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -58.59 -53.17 61.31 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 125.428 1.491 . . . . 10.0 112.409 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 t -53.25 -46.58 69.25 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.885 2.074 . . . . 10.0 114.415 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 t -57.95 -35.66 52.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 129.139 2.975 . . . . 10.0 111.46 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -97.19 10.97 37.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 130.817 3.647 . . . . 10.0 113.803 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.5 -31.82 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 C-N-CA 129.228 3.011 . . . . 10.0 110.938 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 CA--C 1.551 1.012 0 N-CA-C 107.603 -1.258 . . . . 10.0 107.603 167.372 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -52.25 -25.82 10.31 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.117 1.895 . . . . 10.0 116.117 -174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.87 6.65 82.61 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.18 1.371 . . . . 10.0 115.081 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -145.49 -56.14 0.31 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.808 1.643 . . . . 10.0 113.09 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.95 -31.88 73.06 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.357 2.263 . . . . 10.0 113.026 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.48 -3.61 9.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.37 1.248 . . . . 10.0 114.37 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -121.67 13.03 10.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.901 1.68 . . . . 10.0 112.525 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.65 -58.82 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 127.762 2.425 . . . . 10.0 110.598 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -64.36 -31.9 73.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.048 0.939 . . . . 10.0 112.214 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.16 67.81 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.039 1.126 . . . . 10.0 114.039 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.455 1.102 . . . . 10.0 113.559 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -97.55 -34.72 10.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.815 1.246 . . . . 10.0 112.442 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -24.58 -60.74 0.06 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.849 2.86 . . . . 10.0 118.426 -168.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 t -87.36 -29.15 21.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.924 0 O-C-N 121.242 -0.911 . . . . 10.0 111.385 174.41 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 113.514 0.931 . . . . 10.0 113.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.4 -26.12 64.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.156 1.343 . . . . 10.0 112.443 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -41.5 17.67 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.996 0.918 . . . . 10.0 112.914 169.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -59.45 -46.41 88.85 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 127.203 2.201 . . . . 10.0 111.492 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.2 -44.94 79.95 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.527 1.131 . . . . 10.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.19 -51.6 69.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.19 1.396 . . . . 10.0 114.581 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -37.4 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 119.628 1.103 . . . . 10.0 110.98 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 m -69.43 -28.19 65.92 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.934 0.894 . . . . 10.0 111.273 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 -28.7 43.62 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 120.838 -1.164 . . . . 10.0 111.106 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.54 90.25 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.657 -1.277 . . . . 10.0 109.537 167.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.85 -29.64 68.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.716 1.606 . . . . 10.0 113.252 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -30.82 67.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.26 1.845 . . . . 10.0 109.32 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -76.73 -44.43 33.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.067 1.347 . . . . 10.0 111.438 169.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -19.81 61.61 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.997 -1.064 . . . . 10.0 111.751 -175.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.34 -23.45 37.77 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.828 1.651 . . . . 10.0 110.406 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -51.85 8.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.667 2.387 . . . . 10.0 116.206 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -140.82 48.56 1.35 Allowed Pre-proline 0 N--CA 1.489 1.505 0 C-N-CA 127.254 2.222 . . . . 10.0 110.024 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.574 6.9 Cg_exo -16.67 -90.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 2 N-CA-C 123.987 4.572 . . . . 10.0 123.987 -165.399 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.5 p -75.1 9.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 119.753 1.161 . . . . 10.0 114.057 -169.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -48.66 107.79 0.82 Allowed Pre-proline 0 N--CA 1.469 0.476 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 167.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.23 -23.95 38.46 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 N-CA-C 114.731 1.012 . . . . 10.0 114.731 -167.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.52 94.5 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.085 0.857 . . . . 10.0 111.917 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.57 -43.86 19.94 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -34.66 78.35 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.832 -1.168 . . . . 10.0 109.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.44 -29.13 56.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.786 -1.196 . . . . 10.0 111.839 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.23 83.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.274 -0.891 . . . . 10.0 111.423 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -61.07 -55.3 34.26 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 124.122 0.969 . . . . 10.0 111.609 171.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -65.67 -25.98 67.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.785 0.802 . . . . 10.0 111.276 -176.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -65.83 -50.13 65.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 124.579 1.152 . . . . 10.0 111.2 169.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.29 -37.69 83.82 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.168 0.987 . . . . 10.0 112.52 -178.329 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -35.97 61.41 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 129.675 3.19 . . . . 10.0 110.637 168.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.19 -42.62 23.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 170.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -58.63 -34.44 71.19 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.289 0.949 . . . . 10.0 112.331 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 124.692 1.197 . . . . 10.0 111.058 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -39.31 93.93 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 126.976 2.111 . . . . 10.0 112.845 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.73 -44.16 86.83 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.448 1.499 . . . . 10.0 111.024 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.79 97.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.105 1.762 . . . . 10.0 111.442 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -79.15 25.75 0.29 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.455 1.502 . . . . 10.0 113.537 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -141.05 18.12 2.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.247 3.019 . . . . 10.0 109.669 168.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -122.32 -51.32 1.98 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 127.478 2.311 . . . . 10.0 110.333 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -49.81 -43.05 48.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.708 2.003 . . . . 10.0 113.645 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.1 -28.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 130.535 3.534 . . . . 10.0 113.588 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -115.06 15.96 17.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 130.447 3.499 . . . . 10.0 112.404 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.8 t -115.8 -33.22 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 129.493 3.117 . . . . 10.0 110.258 173.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 CA--C 1.554 1.096 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 166.27 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -50.0 -22.64 1.65 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 118.947 2.943 . . . . 10.0 118.947 -168.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.36 1.5 82.23 Favored Glycine 0 CA--C 1.539 1.58 0 CA-C-N 119.828 1.195 . . . . 10.0 114.842 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -143.02 -40.1 0.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.867 2.067 . . . . 10.0 113.569 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.46 -42.83 67.59 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.102 1.761 . . . . 10.0 114.18 -169.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.33 -25.84 59.99 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -172.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -97.51 -41.62 8.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.022 0.929 . . . . 10.0 113.014 169.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.95 -47.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.407 1.483 . . . . 10.0 112.19 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -64.45 -47.57 78.54 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.758 1.223 . . . . 10.0 111.804 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.13 -32.57 72.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 119.284 -0.966 . . . . 10.0 112.371 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -66.11 -40.21 90.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.81 2.044 . . . . 10.0 112.295 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -18.33 60.69 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 115.72 1.748 . . . . 10.0 115.72 177.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -35.92 -39.13 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 118.552 2.797 . . . . 10.0 118.552 -168.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -105.31 -25.06 12.56 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.108 0 O-C-N 120.685 -1.259 . . . . 10.0 111.271 171.058 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 113.527 0.936 . . . . 10.0 113.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.6 -27.09 64.8 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 120.054 1.297 . . . . 10.0 110.818 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -45.35 17.2 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 170.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -54.43 -48.04 72.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.116 1.766 . . . . 10.0 111.971 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -57.71 -43.88 85.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.406 1.003 . . . . 10.0 110.012 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.73 -52.36 65.76 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.203 1.401 . . . . 10.0 114.318 170.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -37.5 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.785 1.175 . . . . 10.0 111.463 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -70.52 -27.68 64.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.035 0.934 . . . . 10.0 111.048 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.04 -28.84 43.28 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.972 -1.08 . . . . 10.0 111.201 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.9 92.5 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.618 -1.301 . . . . 10.0 109.562 167.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.71 -29.57 68.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.704 1.602 . . . . 10.0 113.076 169.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.57 -31.86 68.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 121.402 1.91 . . . . 10.0 109.228 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.36 -44.26 46.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.913 1.285 . . . . 10.0 111.336 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -19.82 61.37 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.051 -1.031 . . . . 10.0 111.88 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.72 -23.17 36.92 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 125.885 1.674 . . . . 10.0 110.315 169.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.78 -52.24 7.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.684 2.394 . . . . 10.0 116.184 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -140.44 48.28 1.37 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 127.205 2.202 . . . . 10.0 110.007 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.6 Cg_exo -16.37 -90.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 2 N-CA-C 123.975 4.567 . . . . 10.0 123.975 -165.56 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.06 9.43 1.97 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.001 1.111 . . . . 10.0 114.001 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.73 107.72 0.81 Allowed Pre-proline 0 C--N 1.347 0.473 0 N-CA-C 106.147 -1.797 . . . . 10.0 106.147 167.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.05 -24.38 39.03 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 N-CA-C 114.884 1.071 . . . . 10.0 114.884 -167.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.01 93.99 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.018 0.827 . . . . 10.0 112.008 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.58 -43.53 20.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -35.03 79.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.776 1.171 . . . . 10.0 109.893 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.85 -27.66 55.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.805 1.184 . . . . 10.0 111.891 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.25 80.66 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.475 -0.766 . . . . 10.0 111.125 169.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.86 -54.95 38.8 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.158 -0.964 . . . . 10.0 111.71 170.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.86 0.838 . . . . 10.0 111.066 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -66.45 -49.6 66.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.575 1.15 . . . . 10.0 111.27 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.76 -38.18 83.1 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.692 1.197 . . . . 10.0 112.63 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -36.34 61.14 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 129.479 3.111 . . . . 10.0 110.457 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -80.11 -42.38 23.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.216 0.821 . . . . 10.0 113.216 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -57.74 -35.41 70.67 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.699 1.136 . . . . 10.0 112.25 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 124.798 1.239 . . . . 10.0 111.305 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.1 t80 . . . . . 0 CA--C 1.552 1.024 0 CA-C-O 122.454 1.121 . . . . 10.0 108.196 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -66.23 -39.26 89.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.296 2.638 . . . . 10.0 113.308 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -66.1 -42.1 89.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.776 1.63 . . . . 10.0 111.18 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.899 1.68 . . . . 10.0 110.369 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.29 30.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 123.508 1.623 . . . . 10.0 113.773 168.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 t -142.29 12.75 1.98 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 129.996 3.318 . . . . 10.0 110.505 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -123.07 -48.71 1.98 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 127.918 2.487 . . . . 10.0 111.117 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 t -55.47 -35.96 66.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.279 1.831 . . . . 10.0 113.358 168.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.48 -32.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 129.899 3.28 . . . . 10.0 112.819 170.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -101.23 11.38 39.47 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 129.857 3.263 . . . . 10.0 112.797 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -116.63 -33.47 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 129.196 2.998 . . . . 10.0 111.298 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 167.412 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -108.83 -3.17 17.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.259 0.936 . . . . 10.0 113.355 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.77 -37.36 0.36 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.511 1.529 . . . . 10.0 112.494 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.6 -50.03 72.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.234 1.017 . . . . 10.0 111.924 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.17 -41.17 78.74 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.96 0.904 . . . . 10.0 111.709 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.14 -5.44 6.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.769 1.227 . . . . 10.0 113.907 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -107.29 -35.68 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.434 1.494 . . . . 10.0 112.068 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.28 -56.11 10.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 125.738 1.615 . . . . 10.0 111.948 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.9 t -63.7 -37.3 86.85 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.663 1.185 . . . . 10.0 111.742 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.71 74.9 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -58.55 -17.29 20.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.24 1.416 . . . . 10.0 113.844 174.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -114.85 4.3 14.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 10.0 115.496 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.67 -15.9 22.73 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.817 1.784 . . . . 10.0 115.817 -169.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -97.14 -30.44 13.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.203 1.401 . . . . 10.0 114.157 171.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 O-C-N 120.664 -1.272 . . . . 10.0 111.799 176.08 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 113.77 1.026 . . . . 10.0 113.77 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.29 -26.49 63.83 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.371 1.442 . . . . 10.0 110.341 167.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -46.04 16.74 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.505 0.722 . . . . 10.0 112.302 169.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.06 -47.17 81.62 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.385 1.474 . . . . 10.0 112.014 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.88 -45.22 82.67 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.441 1.097 . . . . 10.0 109.845 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.77 68.39 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.23 1.412 . . . . 10.0 114.247 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -37.88 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.113 0.87 . . . . 10.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 m -68.91 -28.0 66.28 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 123.58 0.752 . . . . 10.0 111.305 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.677 -1.264 . . . . 10.0 111.126 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.62 90.94 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.669 -1.269 . . . . 10.0 109.553 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.57 -29.83 68.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.624 1.57 . . . . 10.0 113.228 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.73 -31.28 68.16 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.232 1.833 . . . . 10.0 109.225 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -76.28 -44.28 37.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.906 1.282 . . . . 10.0 111.494 169.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -19.65 61.64 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.076 -1.015 . . . . 10.0 111.876 -175.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.97 -23.21 36.2 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 125.997 1.719 . . . . 10.0 110.411 169.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -51.57 8.5 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.683 2.393 . . . . 10.0 116.33 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -140.81 46.67 0.95 Allowed Pre-proline 0 N--CA 1.49 1.566 0 C-N-CA 127.298 2.239 . . . . 10.0 110.26 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.587 6.4 Cg_exo -14.66 -92.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.173 2 N-CA-C 123.943 4.555 . . . . 10.0 123.943 -165.43 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.4 p -74.34 9.23 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.645 1.111 . . . . 10.0 113.982 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -48.36 107.31 0.73 Allowed Pre-proline 0 C--N 1.347 0.491 0 N-CA-C 106.296 -1.742 . . . . 10.0 106.296 167.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.68 -24.61 41.06 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 N-CA-C 114.737 1.014 . . . . 10.0 114.737 -167.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.51 95.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.087 0.858 . . . . 10.0 112.076 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -43.63 19.82 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.56 78.03 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.627 1.103 . . . . 10.0 109.622 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.68 -27.65 55.63 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 120.747 -1.221 . . . . 10.0 111.973 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.6 -35.38 78.87 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.368 -0.832 . . . . 10.0 111.321 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.82 -54.79 37.34 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 124.057 0.943 . . . . 10.0 111.728 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -64.74 -26.57 68.42 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.667 0.746 . . . . 10.0 111.293 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -65.91 -48.04 72.76 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.411 1.085 . . . . 10.0 111.846 169.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -69.73 -36.99 76.35 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.024 0.929 . . . . 10.0 112.607 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.81 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 128.802 2.841 . . . . 10.0 109.304 168.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 m -72.58 -42.0 65.06 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -61.36 -35.1 76.51 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.183 0.901 . . . . 10.0 112.339 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 C-N-CA 123.927 0.891 . . . . 10.0 109.779 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 22.9 t80 . . . . . 0 CA--C 1.553 1.079 0 N-CA-C 107.677 -1.231 . . . . 10.0 107.677 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.91 74.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.27 2.228 . . . . 10.0 114.158 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -65.58 -44.94 85.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.659 1.584 . . . . 10.0 110.489 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.74 99.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.381 1.872 . . . . 10.0 111.355 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.08 35.2 0.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 123.823 1.773 . . . . 10.0 113.836 169.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 t -144.32 9.37 1.42 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.243 3.417 . . . . 10.0 110.226 168.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -116.47 -50.86 2.62 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 127.714 2.406 . . . . 10.0 110.51 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -56.84 -35.66 69.09 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 10.0 114.147 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -57.12 -47.67 83.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 128.202 2.601 . . . . 10.0 111.073 171.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.73 7.11 3.29 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 129.084 2.953 . . . . 10.0 113.361 172.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -35.9 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 128.623 2.769 . . . . 10.0 111.286 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 107.015 -1.476 . . . . 10.0 107.015 166.267 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.5 m95 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -62.33 -21.83 65.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.696 1.589 . . . . 10.0 114.319 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.51 -2.05 82.76 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.93 1.252 . . . . 10.0 115.263 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -144.08 8.12 1.42 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.517 1.527 . . . . 10.0 114.032 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -51.22 -44.47 61.64 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.507 1.923 . . . . 10.0 113.176 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -71.51 11.95 0.41 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -122.19 -46.79 2.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.573 1.949 . . . . 10.0 109.582 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.2 -43.73 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 125.91 1.684 . . . . 10.0 113.262 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 t -79.16 -38.84 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.827 0.851 . . . . 10.0 111.102 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.34 -22.95 64.65 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -173.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.518 1.127 . . . . 10.0 111.802 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -46.45 63.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.892 1.277 . . . . 10.0 111.153 170.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.41 -21.1 66.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.808 1.411 . . . . 10.0 114.808 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -98.84 -30.83 12.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.604 1.162 . . . . 10.0 113.539 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 120.974 -1.079 . . . . 10.0 112.382 174.404 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 113.373 0.879 . . . . 10.0 113.373 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -69.61 -27.63 65.25 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.231 1.378 . . . . 10.0 111.374 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -44.6 19.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.498 0.719 . . . . 10.0 111.664 169.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -58.0 -46.98 84.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.218 1.407 . . . . 10.0 112.072 176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.51 -46.01 84.29 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.586 1.154 . . . . 10.0 109.843 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.497 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 14.4 mt-30 -58.95 -49.42 77.9 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.548 1.539 . . . . 10.0 114.826 174.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -66.95 -36.66 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 120.797 -1.189 . . . . 10.0 112.052 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -66.69 -27.52 67.72 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.08 0.552 . . . . 10.0 110.907 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.66 -28.7 40.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.015 -1.053 . . . . 10.0 111.583 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.62 97.31 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.553 -1.342 . . . . 10.0 108.993 167.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.25 -30.17 70.55 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.272 1.429 . . . . 10.0 112.911 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.43 -34.27 72.29 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 121.769 2.077 . . . . 10.0 109.374 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.6 -43.47 69.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.192 0.997 . . . . 10.0 111.144 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -20.25 60.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.316 1.055 . . . . 10.0 111.787 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -23.15 38.91 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 126.025 1.73 . . . . 10.0 109.928 169.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.63 5.41 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.117 2.567 . . . . 10.0 116.543 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -138.16 49.13 2.3 Favored Pre-proline 0 N--CA 1.491 1.596 0 C-N-CA 127.477 2.311 . . . . 10.0 109.847 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -16.89 -89.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.265 2 N-CA-C 123.88 4.531 . . . . 10.0 123.88 -165.501 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -76.33 10.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.52 107.58 0.81 Allowed Pre-proline 0 C--N 1.348 0.528 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 167.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.17 -24.06 44.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 N-CA-C 115.704 1.386 . . . . 10.0 115.704 -166.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.1 75.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.945 0.793 . . . . 10.0 112.397 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.05 -42.0 24.59 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.147 0.885 . . . . 10.0 112.792 170.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.96 93.04 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.673 -1.156 . . . . 10.0 108.995 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -19.84 59.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 121.828 2.104 . . . . 10.0 112.123 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.43 79.7 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.303 0.956 . . . . 10.0 109.436 167.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -61.85 -51.86 66.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 118.67 -0.681 . . . . 10.0 109.641 168.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -55.54 -31.47 62.14 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.248 1.019 . . . . 10.0 112.288 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 t -76.0 -48.79 19.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.908 1.283 . . . . 10.0 112.009 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 26.6 mmmt -66.47 -36.0 81.68 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.35 -40.78 36.76 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 128.738 2.815 . . . . 10.0 110.283 168.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -80.34 -38.61 30.21 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 114.984 1.475 . . . . 10.0 114.984 171.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.52 -30.68 68.76 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.591 1.541 . . . . 10.0 112.086 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 121.06 -1.025 . . . . 10.0 110.703 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.419 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 4.8 t80 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.26 96.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.565 2.346 . . . . 10.0 111.672 174.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.35 -44.8 86.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.437 1.495 . . . . 10.0 112.049 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.58 92.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.631 1.973 . . . . 10.0 110.579 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -77.01 25.74 0.15 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.488 1.915 . . . . 10.0 114.11 169.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -145.28 21.86 1.53 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.236 3.014 . . . . 10.0 110.173 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -131.59 -49.2 0.97 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.874 2.47 . . . . 10.0 110.315 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -51.0 -41.22 59.62 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.829 2.052 . . . . 10.0 113.209 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.405 HG22 ' H ' ' A' ' 65' ' ' VAL . 2.2 t -51.82 -25.92 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 131.028 3.731 . . . . 10.0 113.941 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -121.6 12.37 10.71 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.56 3.544 . . . . 10.0 111.618 -174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.46 -32.45 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 C-N-CA 130.299 3.44 . . . . 10.0 110.378 174.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 107.876 -1.157 . . . . 10.0 107.876 167.603 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.0 p90 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -61.63 -21.35 64.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.404 1.482 . . . . 10.0 114.576 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.87 -5.19 68.62 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.273 1.416 . . . . 10.0 114.483 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.81 8.83 3.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.179 2.192 . . . . 10.0 113.028 -175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.23 -42.37 73.3 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.55 1.54 . . . . 10.0 113.061 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.38 7.75 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -117.51 -53.96 2.4 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.2 1.8 . . . . 10.0 108.51 168.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.93 -37.77 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 126.603 1.961 . . . . 10.0 113.315 -172.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -84.52 -43.3 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.57 0.748 . . . . 10.0 111.386 170.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.98 72.64 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -170.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -54.84 -10.41 0.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.573 3.549 . . . . 10.0 115.674 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -134.74 -23.07 1.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.356 2.262 . . . . 10.0 113.795 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -26.11 -69.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 129.243 3.017 . . . . 10.0 117.861 -168.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -72.41 -30.59 64.78 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -169.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.796 0 O-C-N 121.582 -0.699 . . . . 10.0 111.491 176.06 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -69.22 -25.49 64.34 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 120.18 1.355 . . . . 10.0 112.798 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -41.65 15.77 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.123 0.969 . . . . 10.0 112.856 170.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -59.28 -46.22 89.12 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 127.834 2.454 . . . . 10.0 111.334 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -56.22 -45.46 79.91 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.568 1.147 . . . . 10.0 109.542 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.3 -51.63 69.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 10.0 114.511 172.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -37.33 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.528 1.058 . . . . 10.0 110.939 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 m -69.7 -28.35 65.76 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 123.974 0.909 . . . . 10.0 111.343 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.85 -28.96 44.33 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 120.798 -1.189 . . . . 10.0 111.106 173.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.38 90.77 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.636 -1.29 . . . . 10.0 109.664 167.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.01 -30.23 68.57 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.919 1.687 . . . . 10.0 113.282 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.34 -30.36 66.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 121.105 1.775 . . . . 10.0 109.317 171.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -77.17 -44.42 30.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.909 1.284 . . . . 10.0 111.581 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.82 -20.26 61.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.944 -1.097 . . . . 10.0 111.643 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.51 40.25 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 125.595 1.558 . . . . 10.0 110.178 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -56.6 4.02 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.505 2.322 . . . . 10.0 115.893 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.52 70.91 59.8 Favored Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 126.679 1.992 . . . . 10.0 109.058 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.429 3.5 Cg_exo -37.38 -77.52 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.293 3.92 . . . . 10.0 122.293 -166.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -82.41 12.39 4.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.857 -1.152 . . . . 10.0 113.533 -171.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.2 108.87 1.22 Allowed Pre-proline 0 N--CA 1.47 0.547 0 N-CA-C 105.509 -2.034 . . . . 10.0 105.509 167.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.61 -23.6 36.51 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 CA-C-N 119.806 0.966 . . . . 10.0 114.487 -167.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.46 94.62 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 0.841 . . . . 10.0 112.044 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.52 -43.25 21.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.36 78.11 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.694 1.134 . . . . 10.0 109.964 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.42 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 119.834 1.197 . . . . 10.0 111.56 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.49 87.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.218 -0.926 . . . . 10.0 111.339 169.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -60.15 -55.11 37.83 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 124.049 0.94 . . . . 10.0 111.661 170.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.261 0.0 OUTLIER -66.42 -23.74 66.35 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.109 0.88 . . . . 10.0 111.209 -175.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t -66.41 -52.08 50.33 Favored 'General case' 0 N--CA 1.461 0.088 0 C-N-CA 125.19 1.396 . . . . 10.0 110.798 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.43 -37.37 85.03 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.838 1.255 . . . . 10.0 112.479 -177.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -36.46 61.99 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.663 3.185 . . . . 10.0 110.82 168.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.17 -42.11 24.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.304 0.853 . . . . 10.0 113.304 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -58.63 -34.52 71.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.202 0.91 . . . . 10.0 112.346 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 124.658 1.183 . . . . 10.0 111.022 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.438 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 17.4 t80 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -39.67 94.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.723 2.009 . . . . 10.0 112.684 175.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.65 -43.72 88.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.616 1.566 . . . . 10.0 111.233 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.02 99.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.075 1.75 . . . . 10.0 111.175 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.36 27.37 0.2 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 123.629 1.68 . . . . 10.0 113.404 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -144.87 23.22 1.56 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 129.535 3.134 . . . . 10.0 109.704 168.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -130.35 -49.58 1.09 Allowed 'General case' 0 C--N 1.343 0.298 0 C-N-CA 127.699 2.4 . . . . 10.0 110.793 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 t -51.06 -40.74 59.04 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.404 1.881 . . . . 10.0 113.825 169.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.51 -28.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 130.724 3.609 . . . . 10.0 113.477 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -115.75 13.18 16.12 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 130.263 3.425 . . . . 10.0 111.549 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 t -117.28 -35.17 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 C-N-CA 129.839 3.255 . . . . 10.0 110.434 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.566 -1.272 . . . . 10.0 107.566 166.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 116.131 1.901 . . . . 10.0 116.131 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -69.78 -23.7 63.39 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 122.065 2.212 . . . . 10.0 114.041 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 -4.28 74.37 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.791 1.186 . . . . 10.0 114.859 177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -141.33 13.3 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.531 2.333 . . . . 10.0 112.279 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -41.75 -55.97 2.82 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 127.761 2.424 . . . . 10.0 115.948 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.31 5.07 6.06 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -170.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.69 -31.73 4.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.417 1.487 . . . . 10.0 112.241 169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.16 -65.54 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 125.236 1.414 . . . . 10.0 110.723 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -59.69 -34.69 73.2 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.729 1.212 . . . . 10.0 112.441 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.65 76.74 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.224 0.824 . . . . 10.0 113.224 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -14.93 33.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.97 2.108 . . . . 10.0 114.087 173.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -123.67 6.07 8.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.003 2.521 . . . . 10.0 114.073 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.34 -16.31 8.57 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 116.629 2.085 . . . . 10.0 116.629 -168.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -104.09 -20.2 13.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.11 1.364 . . . . 10.0 114.592 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 O-C-N 121.278 -0.888 . . . . 10.0 111.282 173.562 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.44 -0.933 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.3 -27.63 64.54 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 120.213 1.37 . . . . 10.0 111.288 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -45.76 16.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.618 0.767 . . . . 10.0 112.117 169.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -57.19 -45.06 84.08 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.486 1.515 . . . . 10.0 112.003 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -58.26 -45.21 88.26 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.253 1.021 . . . . 10.0 110.07 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.37 -52.38 65.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.138 1.375 . . . . 10.0 113.833 172.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -37.67 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 119.29 0.95 . . . . 10.0 111.307 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.8 m -69.14 -28.15 66.19 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.49 0.716 . . . . 10.0 111.31 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.98 -28.73 43.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.803 -1.185 . . . . 10.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.94 91.58 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.734 -1.229 . . . . 10.0 109.515 167.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.42 -30.13 68.96 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.647 1.579 . . . . 10.0 113.243 169.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -31.17 67.86 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.2 1.818 . . . . 10.0 109.203 171.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -76.12 -44.12 40.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.755 1.222 . . . . 10.0 111.504 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.31 -20.4 60.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.958 -1.089 . . . . 10.0 111.748 -174.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.47 40.55 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.678 1.591 . . . . 10.0 110.028 169.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -56.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.54 2.336 . . . . 10.0 115.984 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.28 69.02 62.41 Favored Pre-proline 0 N--CA 1.485 1.294 0 C-N-CA 126.819 2.047 . . . . 10.0 109.407 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.44 5.0 Cg_exo -36.09 -78.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.454 0 N-CA-C 122.403 3.963 . . . . 10.0 122.403 -166.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.4 p -82.1 12.17 4.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 119.882 1.219 . . . . 10.0 113.431 -170.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.93 108.66 1.15 Allowed Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 167.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.58 -23.61 36.66 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 CA-C-N 119.826 0.974 . . . . 10.0 114.363 -167.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.28 94.82 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.144 0.884 . . . . 10.0 112.067 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.49 -43.78 20.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 170.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.54 78.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.721 1.146 . . . . 10.0 109.897 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.42 53.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.72 1.145 . . . . 10.0 111.712 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.79 81.77 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.392 -0.818 . . . . 10.0 111.124 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -60.56 -54.85 40.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 121.211 -0.93 . . . . 10.0 111.596 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -65.92 -25.4 67.12 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 124.075 0.859 . . . . 10.0 110.809 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -66.17 -48.69 69.92 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.744 1.218 . . . . 10.0 111.62 169.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -68.47 -36.52 79.09 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.726 1.21 . . . . 10.0 112.581 -178.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -39.15 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.184 2.994 . . . . 10.0 110.079 168.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -76.29 -39.32 54.53 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 169.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.28 -35.01 76.13 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.266 1.393 . . . . 10.0 112.253 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 124.209 1.004 . . . . 10.0 109.891 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.9 t80 . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -37.42 87.19 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.04 2.536 . . . . 10.0 112.81 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.24 -43.83 77.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.677 1.591 . . . . 10.0 110.965 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.25 97.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.189 1.795 . . . . 10.0 110.695 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.52 25.49 0.25 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.97 2.108 . . . . 10.0 113.307 168.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.35 24.39 1.27 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.977 2.911 . . . . 10.0 108.94 168.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -126.1 -52.29 1.53 Allowed 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 127.973 2.509 . . . . 10.0 110.117 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -49.93 -43.04 49.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.716 2.006 . . . . 10.0 114.374 169.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.0 t -54.72 -30.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 130.037 3.335 . . . . 10.0 113.115 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -106.79 14.54 26.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.115 3.366 . . . . 10.0 112.437 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -116.88 -36.23 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 128.726 2.81 . . . . 10.0 110.91 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 107.448 -1.316 . . . . 10.0 107.448 166.466 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 114.775 1.398 . . . . 10.0 114.775 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -63.94 -5.78 5.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.02 21.58 5.52 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.067 1.794 . . . . 10.0 114.199 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -149.91 -35.4 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.411 1.484 . . . . 10.0 114.255 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.26 -36.21 63.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.217 2.207 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.65 -32.06 64.98 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.322 1.23 . . . . 10.0 114.322 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.42 -36.22 20.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.11 -54.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.109 1.763 . . . . 10.0 111.584 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -65.91 -34.17 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.863 1.265 . . . . 10.0 112.017 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.07 67.22 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -58.7 -37.34 75.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 10.0 112.109 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.17 -52.18 44.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.668 1.187 . . . . 10.0 109.013 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.3 -27.34 68.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.412 1.634 . . . . 10.0 115.412 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -93.65 -31.24 14.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.174 0.989 . . . . 10.0 113.554 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 O-C-N 121.18 -0.95 . . . . 10.0 111.96 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 113.552 0.945 . . . . 10.0 113.552 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -69.81 -28.35 65.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.04 1.291 . . . . 10.0 112.657 169.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -45.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.418 0.687 . . . . 10.0 112.504 169.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -54.6 -47.31 73.54 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.874 2.07 . . . . 10.0 111.594 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -58.36 -45.41 88.26 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.268 1.027 . . . . 10.0 109.984 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.48 -52.25 66.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.278 1.431 . . . . 10.0 114.236 171.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -37.23 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.563 1.074 . . . . 10.0 111.303 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.64 -28.2 65.7 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.739 0.816 . . . . 10.0 111.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -28.76 49.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 120.872 -1.142 . . . . 10.0 111.219 174.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.0 90.36 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.61 -1.306 . . . . 10.0 109.777 167.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.08 -29.95 69.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.591 1.556 . . . . 10.0 113.32 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.97 -30.08 67.66 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.043 1.747 . . . . 10.0 109.314 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -77.6 -44.46 28.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.238 1.415 . . . . 10.0 111.423 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -19.77 61.71 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 120.972 -1.08 . . . . 10.0 111.796 -175.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.43 36.66 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.961 1.705 . . . . 10.0 110.469 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -51.35 8.69 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.604 2.361 . . . . 10.0 116.1 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -141.42 48.18 1.17 Allowed Pre-proline 0 N--CA 1.49 1.526 0 C-N-CA 127.236 2.214 . . . . 10.0 110.058 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.575 6.8 Cg_exo -16.44 -90.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 2 N-CA-C 123.942 4.555 . . . . 10.0 123.942 -165.402 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -75.5 10.13 1.84 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.687 1.131 . . . . 10.0 113.931 -169.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.31 108.02 0.89 Allowed Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 167.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.31 -24.62 37.19 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 N-CA-C 114.679 0.992 . . . . 10.0 114.679 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.72 95.79 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.084 0.856 . . . . 10.0 112.048 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -43.86 19.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 170.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -34.85 78.89 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 109.74 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.91 54.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.811 -1.18 . . . . 10.0 111.974 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.14 80.59 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.504 -0.747 . . . . 10.0 111.129 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -59.9 -54.57 44.56 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.044 0.938 . . . . 10.0 111.627 170.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.76 -24.01 66.85 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.731 0.777 . . . . 10.0 111.334 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.5 t -66.35 -50.96 61.8 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.591 1.157 . . . . 10.0 111.298 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -67.78 -36.38 80.37 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.914 1.286 . . . . 10.0 112.688 -178.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -38.76 66.61 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 129.048 2.939 . . . . 10.0 110.09 168.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -76.07 -42.61 46.94 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.43 -34.52 72.6 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.169 0.895 . . . . 10.0 112.487 175.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 123.849 0.86 . . . . 10.0 110.279 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.7 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -33.89 73.07 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 127.017 2.127 . . . . 10.0 114.016 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.29 -46.14 81.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.962 1.305 . . . . 10.0 110.05 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.8 86.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.218 1.807 . . . . 10.0 111.807 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -84.23 40.93 0.8 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 124.179 1.942 . . . . 10.0 113.978 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 t -140.15 -41.2 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 130.411 3.485 . . . . 10.0 107.697 168.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.29 -50.62 72.95 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.801 1.64 . . . . 10.0 113.46 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -62.72 -37.91 88.38 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.283 2.233 . . . . 10.0 115.378 176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 127.586 2.355 . . . . 10.0 109.613 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -70.86 4.81 2.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.29 3.036 . . . . 10.0 114.035 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.58 -35.15 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.539 2.736 . . . . 10.0 110.838 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 CA--C 1.56 1.348 0 CA-C-O 122.595 1.188 . . . . 10.0 109.146 166.041 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.438 0.903 . . . . 10.0 113.438 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -64.02 -14.9 57.68 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.776 1.398 . . . . 10.0 114.776 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 3.12 58.49 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.997 1.76 . . . . 10.0 114.503 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -135.44 -13.01 2.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.646 1.978 . . . . 10.0 113.118 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.5 tp -48.68 -46.02 39.75 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.253 2.221 . . . . 10.0 113.187 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -75.56 21.16 0.15 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.923 1.289 . . . . 10.0 114.11 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -131.21 -40.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.894 2.077 . . . . 10.0 110.266 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.09 -50.84 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.711 1.604 . . . . 10.0 112.799 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -78.98 -38.27 37.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 124.854 1.262 . . . . 10.0 111.335 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.35 65.24 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -50.92 -38.23 48.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.918 0.887 . . . . 10.0 111.427 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -58.79 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.863 1.265 . . . . 10.0 111.185 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.23 -22.6 66.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -169.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.28 -32.51 11.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.394 1.078 . . . . 10.0 112.916 171.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 121.046 -1.034 . . . . 10.0 111.962 175.65 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 113.379 0.881 . . . . 10.0 113.379 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -67.75 -26.66 66.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 120.378 1.445 . . . . 10.0 110.816 168.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -46.08 16.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 170.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -56.22 -47.25 78.79 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.506 1.923 . . . . 10.0 111.905 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -58.66 -45.02 90.26 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.647 1.179 . . . . 10.0 109.939 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.56 -52.1 66.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.986 1.314 . . . . 10.0 113.816 172.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.1 -38.25 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 119.144 0.884 . . . . 10.0 110.977 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -68.17 -27.33 66.32 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.472 0.709 . . . . 10.0 111.216 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.65 -29.21 40.86 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.003 -1.06 . . . . 10.0 111.328 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.95 95.29 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.649 -1.282 . . . . 10.0 109.179 167.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.16 -29.57 68.48 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.449 1.5 . . . . 10.0 113.3 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.09 -32.43 69.81 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.488 1.949 . . . . 10.0 109.145 171.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -74.0 -44.6 54.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.467 1.107 . . . . 10.0 111.263 169.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.37 -19.77 61.57 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.038 -1.039 . . . . 10.0 111.878 -174.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.62 -23.2 37.17 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.762 1.625 . . . . 10.0 110.344 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.88 8.12 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.792 2.437 . . . . 10.0 116.244 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.93 48.32 1.28 Allowed Pre-proline 0 N--CA 1.49 1.56 0 C-N-CA 127.151 2.18 . . . . 10.0 110.007 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.9 Cg_exo -15.89 -90.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 2 N-CA-C 123.934 4.552 . . . . 10.0 123.934 -165.56 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.59 10.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.726 1.148 . . . . 10.0 113.937 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.8 107.59 0.79 Allowed Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.09 -23.49 46.03 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 115.819 1.431 . . . . 10.0 115.819 -166.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.98 75.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.895 0.771 . . . . 10.0 112.293 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.14 -41.97 24.39 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.032 0.833 . . . . 10.0 112.978 170.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.91 94.76 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 117.755 -1.117 . . . . 10.0 108.616 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.55 -19.83 60.79 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.173 2.26 . . . . 10.0 112.45 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.55 78.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.241 0.928 . . . . 10.0 109.868 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.99 -51.51 68.95 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 121.371 -0.831 . . . . 10.0 109.747 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.12 -32.05 61.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.388 1.075 . . . . 10.0 112.276 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.23 -47.25 36.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.298 1.039 . . . . 10.0 112.544 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 124.099 0.959 . . . . 10.0 112.028 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.61 -42.0 67.26 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 129.063 2.945 . . . . 10.0 109.596 168.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.4 m -73.03 -43.94 61.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.899 0.88 . . . . 10.0 112.916 172.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.06 -33.45 73.34 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.328 0.967 . . . . 10.0 112.578 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.388 0 O-C-N 120.997 -1.064 . . . . 10.0 109.779 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 20.4 t80 . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.66 73.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.487 2.315 . . . . 10.0 114.101 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -65.72 -42.68 90.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.529 1.531 . . . . 10.0 110.75 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -64.55 -43.11 94.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.379 1.471 . . . . 10.0 111.144 169.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.48 41.58 0.63 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 124.237 1.97 . . . . 10.0 114.091 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 60' ' ' ALA . 44.1 t -141.09 -41.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 130.636 3.574 . . . . 10.0 107.743 168.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.77 -45.81 92.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.931 1.692 . . . . 10.0 114.609 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -68.77 -36.31 78.15 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.817 2.047 . . . . 10.0 115.274 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.77 -45.69 94.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 127.341 2.256 . . . . 10.0 109.421 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -68.78 3.73 1.79 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.001 2.92 . . . . 10.0 114.265 169.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 t -116.31 -35.8 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 128.841 2.856 . . . . 10.0 111.619 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 106.825 -1.546 . . . . 10.0 106.825 166.474 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 m0 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -50.16 -22.93 1.88 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.896 2.184 . . . . 10.0 116.896 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.1 -1.43 90.33 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 124.891 1.234 . . . . 10.0 115.393 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.89 -31.15 0.56 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.749 2.02 . . . . 10.0 113.52 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.2 tp -42.52 -48.83 5.38 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 128.699 2.8 . . . . 10.0 113.683 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.25 14.2 0.47 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.19 1.396 . . . . 10.0 114.313 -170.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -139.34 6.88 2.35 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.416 1.486 . . . . 10.0 113.037 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -116.36 -56.25 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 127.094 2.158 . . . . 10.0 110.086 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.9 t -72.02 -44.61 63.13 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.255 1.422 . . . . 10.0 111.828 171.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.05 70.46 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.138 -0.976 . . . . 10.0 112.764 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -63.81 -18.92 64.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.823 2.049 . . . . 10.0 113.214 169.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.95 -23.32 13.36 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.618 1.967 . . . . 10.0 114.766 175.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -40.48 -46.13 2.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 118.42 2.748 . . . . 10.0 118.42 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -86.72 -31.42 20.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.53 0.937 . . . . 10.0 113.53 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.831 0 O-C-N 121.329 -0.857 . . . . 10.0 111.375 177.368 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 113.758 1.022 . . . . 10.0 113.758 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.42 -27.2 65.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 120.25 1.386 . . . . 10.0 112.029 169.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.9 -43.86 19.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.789 0.836 . . . . 10.0 112.755 169.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -58.32 -46.6 85.87 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 126.799 2.04 . . . . 10.0 111.615 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.74 -46.39 81.4 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.624 1.17 . . . . 10.0 109.596 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -57.53 -51.74 68.24 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.175 1.39 . . . . 10.0 114.52 172.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.06 -38.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 119.511 1.05 . . . . 10.0 111.132 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 m -67.57 -27.76 67.21 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.545 0.738 . . . . 10.0 111.035 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.47 -28.0 46.4 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.846 -1.159 . . . . 10.0 111.392 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.72 89.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.46 -1.4 . . . . 10.0 109.27 167.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.24 -29.89 69.65 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.42 1.488 . . . . 10.0 113.387 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.83 -31.68 68.7 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.19 1.813 . . . . 10.0 109.277 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -75.74 -44.19 42.99 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.947 1.299 . . . . 10.0 111.25 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -20.04 61.47 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 122.285 1.041 . . . . 10.0 111.795 -175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.88 -23.09 39.26 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.829 1.652 . . . . 10.0 110.445 169.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.03 -53.27 6.56 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.827 2.451 . . . . 10.0 116.322 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -139.75 49.31 1.89 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 127.442 2.297 . . . . 10.0 109.565 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -17.14 -90.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 2 N-CA-C 123.813 4.505 . . . . 10.0 123.813 -165.61 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.1 p -75.99 10.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.608 1.094 . . . . 10.0 113.763 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -49.07 106.5 0.63 Allowed Pre-proline 0 C--N 1.348 0.526 0 N-CA-C 106.012 -1.847 . . . . 10.0 106.012 167.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -65.79 -24.17 54.7 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 N-CA-C 115.975 1.49 . . . . 10.0 115.975 -166.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.19 -40.13 78.27 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.87 0.759 . . . . 10.0 112.555 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.26 -42.37 23.3 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 10.0 113.019 170.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -44.25 96.68 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 117.732 -1.128 . . . . 10.0 108.589 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.64 -19.81 60.75 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 122.217 2.281 . . . . 10.0 112.585 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.57 76.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.315 0.962 . . . . 10.0 109.776 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.92 -51.94 66.08 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.631 0.772 . . . . 10.0 109.506 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -54.31 -31.34 53.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.533 1.133 . . . . 10.0 112.43 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.5 -50.01 19.87 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.245 1.018 . . . . 10.0 112.563 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.47 -34.73 77.77 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.915 0.886 . . . . 10.0 112.099 -179.092 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -41.51 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 129.036 2.934 . . . . 10.0 110.072 168.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 m -74.68 -42.87 57.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -59.85 -35.42 74.72 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.184 0.902 . . . . 10.0 112.592 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 124.246 1.018 . . . . 10.0 110.431 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.6 t80 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -33.49 71.25 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 127.651 2.38 . . . . 10.0 114.426 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -65.72 -44.12 87.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.415 1.486 . . . . 10.0 110.096 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.46 86.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.995 1.718 . . . . 10.0 111.579 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -82.51 38.72 0.57 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.742 1.734 . . . . 10.0 114.071 169.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.2 t -139.32 -36.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 130.314 3.446 . . . . 10.0 108.537 168.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.87 -53.06 60.97 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.542 1.537 . . . . 10.0 113.378 173.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -59.82 -36.8 77.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.854 2.062 . . . . 10.0 114.896 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.62 -47.82 91.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 127.656 2.382 . . . . 10.0 109.783 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -69.47 5.12 1.46 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 128.046 2.538 . . . . 10.0 114.038 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.64 -35.97 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 128.429 2.691 . . . . 10.0 111.526 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 106.79 -1.559 . . . . 10.0 106.79 166.552 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 114.263 1.209 . . . . 10.0 114.263 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -56.68 -20.86 23.82 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.61 1.707 . . . . 10.0 115.61 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.53 0.5 68.08 Favored Glycine 0 CA--C 1.542 1.739 0 C-N-CA 125.127 1.346 . . . . 10.0 115.259 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -138.88 -12.74 1.26 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.242 2.217 . . . . 10.0 114.212 -169.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.84 -53.13 27.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.555 2.342 . . . . 10.0 114.604 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.48 16.49 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -169.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -130.89 -35.75 1.4 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.961 1.704 . . . . 10.0 111.823 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.83 -50.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 126.391 1.876 . . . . 10.0 112.4 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -78.88 -39.08 36.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 125.477 1.511 . . . . 10.0 111.952 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -29.93 71.11 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.133 -0.979 . . . . 10.0 112.836 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.65 -16.83 52.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.895 2.478 . . . . 10.0 113.697 169.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -22.93 9.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.144 2.178 . . . . 10.0 114.5 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -38.66 -62.17 0.64 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.826 2.45 . . . . 10.0 116.874 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -72.83 -28.27 62.44 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.308 -0.87 . . . . 10.0 113.153 -169.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 C-N-CA 123.751 0.691 . . . . 10.0 111.773 177.433 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.444 -0.727 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.83 -24.86 63.52 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.452 1.478 . . . . 10.0 113.634 169.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -47.22 8.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 113.103 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -54.44 -46.8 73.34 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 126.788 2.035 . . . . 10.0 111.82 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -53.95 -45.29 71.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.886 1.675 . . . . 10.0 110.078 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -60.58 -52.51 64.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.516 1.526 . . . . 10.0 114.639 173.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -36.8 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 119.56 1.073 . . . . 10.0 111.004 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -71.2 -28.02 63.92 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.372 1.069 . . . . 10.0 111.162 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.77 -29.24 44.97 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 121.005 -1.059 . . . . 10.0 111.006 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.77 92.18 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.645 -1.285 . . . . 10.0 109.644 167.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.08 -29.95 68.16 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.863 1.665 . . . . 10.0 113.19 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.47 -31.7 68.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.362 1.892 . . . . 10.0 109.104 171.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.51 -44.48 43.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.632 1.173 . . . . 10.0 111.55 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -20.09 61.01 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.934 -1.104 . . . . 10.0 111.687 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 -23.92 39.52 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.717 1.607 . . . . 10.0 110.06 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -55.74 4.6 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.437 2.295 . . . . 10.0 115.933 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.85 68.33 57.98 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 126.766 2.027 . . . . 10.0 109.484 178.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.445 4.2 Cg_exo -35.09 -79.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.489 3.996 . . . . 10.0 122.489 -166.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -82.0 12.45 4.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.876 1.216 . . . . 10.0 113.423 -170.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -52.82 108.87 1.2 Allowed Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 105.588 -2.004 . . . . 10.0 105.588 167.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.48 -23.76 37.08 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 CA-C-N 119.804 0.966 . . . . 10.0 114.479 -167.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.62 95.29 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.012 0.824 . . . . 10.0 112.081 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.51 -43.53 20.63 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.087 1.143 . . . . 10.0 114.087 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.3 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.627 1.103 . . . . 10.0 109.923 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.05 -28.05 54.6 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 119.89 1.223 . . . . 10.0 111.83 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.14 81.72 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.391 -0.818 . . . . 10.0 111.333 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.72 -55.33 34.5 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 123.843 0.857 . . . . 10.0 111.497 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -66.18 -24.2 66.59 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.864 0.84 . . . . 10.0 111.287 -175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -67.1 -50.99 59.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.913 1.285 . . . . 10.0 111.378 169.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.2 -36.53 81.93 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.464 1.106 . . . . 10.0 112.586 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -36.74 63.51 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.487 3.115 . . . . 10.0 110.577 168.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -78.13 -42.92 30.33 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 10.0 112.873 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.01 -32.74 69.98 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.099 0.863 . . . . 10.0 112.615 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 C-N-CA 124.477 1.111 . . . . 10.0 111.21 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.2 t80 . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 107.854 -1.165 . . . . 10.0 107.854 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -40.3 95.1 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.827 2.451 . . . . 10.0 112.896 175.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.83 -46.02 76.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.519 1.528 . . . . 10.0 111.6 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.9 89.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.812 1.645 . . . . 10.0 111.183 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -78.66 30.97 0.19 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.296 1.838 . . . . 10.0 114.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.1 t -143.43 13.63 1.78 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.584 3.153 . . . . 10.0 110.577 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -125.01 -48.18 1.76 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.11 2.564 . . . . 10.0 111.183 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 t -56.53 -33.88 66.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 123.889 1.804 . . . . 10.0 113.576 168.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.1 -37.61 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 129.251 3.02 . . . . 10.0 112.033 171.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -91.61 9.27 32.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.303 3.041 . . . . 10.0 112.912 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.7 t -117.08 -35.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 128.897 2.879 . . . . 10.0 111.37 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.647 -1.242 . . . . 10.0 107.647 166.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.031 0.443 . . . . 10.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -152.27 -36.01 0.12 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.233 1.413 . . . . 10.0 112.544 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.96 26.66 18.54 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.835 1.684 . . . . 10.0 113.902 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -146.06 -56.93 0.29 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.54 . . . . 10.0 112.266 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.48 -32.67 67.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.581 1.952 . . . . 10.0 112.924 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.69 3.17 1.51 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -123.06 2.03 9.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.014 1.726 . . . . 10.0 112.847 170.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.84 -49.4 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 127.801 2.44 . . . . 10.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -73.29 -39.15 65.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 123.698 0.799 . . . . 10.0 111.351 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.56 66.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.907 -1.121 . . . . 10.0 113.737 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.08 -45.92 75.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.251 1.42 . . . . 10.0 110.677 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -51.02 67.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.086 0.954 . . . . 10.0 110.554 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.79 -25.17 66.36 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -170.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -95.15 -27.1 15.73 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.835 1.05 . . . . 10.0 113.835 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.989 0 CA-C-N 118.892 0.769 . . . . 10.0 111.971 175.533 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 113.906 1.076 . . . . 10.0 113.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -70.32 -27.74 64.62 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.407 1.458 . . . . 10.0 112.023 168.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -44.84 17.96 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.509 0.724 . . . . 10.0 112.212 169.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -56.86 -46.44 81.79 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 126.55 1.94 . . . . 10.0 111.902 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -57.63 -45.99 84.73 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.166 0.987 . . . . 10.0 109.852 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.72 -51.13 71.26 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.238 1.415 . . . . 10.0 114.338 173.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.33 -38.46 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.296 0.953 . . . . 10.0 110.581 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.9 m -68.51 -27.54 66.21 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.598 -0.689 . . . . 10.0 111.323 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 -30.17 45.14 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.798 -1.189 . . . . 10.0 111.242 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.11 95.65 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.629 -1.294 . . . . 10.0 109.152 167.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.18 -30.26 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.548 1.539 . . . . 10.0 113.573 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -31.76 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 120.892 1.678 . . . . 10.0 109.307 172.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -75.82 -44.06 43.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.44 1.096 . . . . 10.0 110.714 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -73.5 -19.76 60.84 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.696 -1.252 . . . . 10.0 112.153 -172.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.54 -20.12 44.19 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 126.051 1.74 . . . . 10.0 110.195 169.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.72 -53.63 5.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.27 2.228 . . . . 10.0 115.614 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -141.35 48.03 1.15 Allowed Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 126.205 1.802 . . . . 10.0 111.104 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 40' ' ' ASP 0.446 2.9 Cg_exo -19.06 -93.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.516 -0.395 1 C-N-CA 126.81 5.007 . . . . 10.0 121.865 -166.85 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.327 15.1 p -75.09 26.36 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 121.223 1.829 . . . . 10.0 114.586 -173.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 38' ' ' PRO . 4.6 t70 -66.98 92.82 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.177 1 N-CA-C 96.638 -5.319 . . . . 10.0 96.638 162.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.418 ' HA ' HD23 ' A' ' 44' ' ' LEU . 88.9 Cg_endo -67.06 -5.23 13.09 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 120.842 1.028 . . . . 10.0 113.716 -165.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.66 -51.84 8.74 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.63 1.172 . . . . 10.0 111.176 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.98 -41.22 82.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.808 1.185 . . . . 10.0 109.838 168.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 44' ' ' LEU 0.359 0.2 OUTLIER -60.22 -46.15 90.76 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.104 -1.427 . . . . 10.0 107.91 178.505 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.8 57.23 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 123.582 2.901 . . . . 10.0 109.286 -167.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.24 82.34 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 167.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.61 -54.35 33.32 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.147 -0.97 . . . . 10.0 109.981 168.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -55.15 -26.2 37.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.02 1.328 . . . . 10.0 111.599 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -77.65 -54.15 6.71 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.237 2.215 . . . . 10.0 112.826 171.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.32 -35.34 80.06 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.531 1.132 . . . . 10.0 112.384 -178.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tt -52.52 -42.77 64.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 130.287 3.435 . . . . 10.0 110.651 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -77.09 -42.04 39.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.969 0.907 . . . . 10.0 112.86 172.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.33 -31.75 69.46 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.67 0.788 . . . . 10.0 112.069 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 124.451 1.101 . . . . 10.0 110.611 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.3 t80 . . . . . 0 CA--C 1.544 0.75 0 N-CA-C 107.966 -1.124 . . . . 10.0 107.966 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.9 92.04 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.189 2.195 . . . . 10.0 111.783 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -65.96 -45.93 79.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.491 1.516 . . . . 10.0 111.635 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.34 90.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.851 1.66 . . . . 10.0 110.744 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -75.66 24.01 0.12 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.258 1.823 . . . . 10.0 115.054 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -141.09 12.26 2.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.46 2.704 . . . . 10.0 110.938 168.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -122.08 -49.07 2.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 127.942 2.497 . . . . 10.0 110.232 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 t -49.34 -41.97 40.35 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.766 2.027 . . . . 10.0 112.786 169.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.77 -25.37 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 131.045 3.738 . . . . 10.0 113.851 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -119.77 12.04 12.06 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.712 3.605 . . . . 10.0 112.157 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 t -110.01 -27.98 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 129.302 3.041 . . . . 10.0 109.859 172.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 124.192 1.948 . . . . 10.0 109.888 167.339 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 115.345 1.609 . . . . 10.0 115.345 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -56.63 -26.89 57.17 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.026 1.739 . . . . 10.0 113.423 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 1.8 44.87 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 116.286 1.274 . . . . 10.0 116.286 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -148.08 -53.63 0.2 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.516 1.658 . . . . 10.0 113.921 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.34 -35.56 70.07 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.294 1.838 . . . . 10.0 112.533 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.6 3.51 1.36 Allowed 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.51 5.04 6.85 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.162 1.785 . . . . 10.0 112.788 170.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.84 -41.72 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 128.098 2.559 . . . . 10.0 111.812 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -80.75 -43.5 20.11 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.493 1.117 . . . . 10.0 111.016 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.9 66.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -49.34 -48.74 46.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.337 1.855 . . . . 10.0 110.913 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -53.12 42.16 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.345 1.058 . . . . 10.0 111.203 169.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.1 -25.08 66.71 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.701 1.741 . . . . 10.0 115.701 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -95.4 -33.62 12.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.045 0.938 . . . . 10.0 113.483 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 120.937 -1.102 . . . . 10.0 111.809 175.354 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.45 -27.1 64.95 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.096 1.316 . . . . 10.0 111.596 168.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -45.45 17.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.174 0.59 . . . . 10.0 112.232 169.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -56.46 -47.15 79.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 126.551 1.94 . . . . 10.0 112.047 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -57.29 -46.06 83.5 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.434 1.094 . . . . 10.0 109.843 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.67 -51.5 69.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.446 1.498 . . . . 10.0 114.273 173.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -38.77 83.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 119.336 0.971 . . . . 10.0 110.546 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -68.7 -27.26 65.8 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.466 -0.772 . . . . 10.0 111.401 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.94 -30.28 44.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.708 -1.245 . . . . 10.0 111.096 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.09 95.95 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.64 -1.288 . . . . 10.0 109.134 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.11 -31.0 71.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.793 1.637 . . . . 10.0 113.697 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -31.31 69.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.778 1.626 . . . . 10.0 109.427 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.98 -41.98 49.69 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.328 1.051 . . . . 10.0 110.985 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -71.13 -39.62 71.89 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 120.33 -1.481 . . . . 10.0 110.711 -171.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.1 44.18 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.573 1.549 . . . . 10.0 111.244 169.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.96 -59.86 2.43 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.083 2.153 . . . . 10.0 115.774 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -136.15 77.96 47.5 Favored Pre-proline 0 N--CA 1.488 1.441 0 C-N-CA 126.17 1.788 . . . . 10.0 108.951 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -63.06 -20.19 70.78 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 121.369 3.565 . . . . 10.0 121.369 -166.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.33 85.4 p -126.8 49.96 2.0 Allowed 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 125.095 2.379 . . . . 10.0 113.139 169.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.05 83.43 0.23 Allowed Pre-proline 0 N--CA 1.441 -0.885 1 N-CA-C 92.927 -6.694 . . . . 10.0 92.927 162.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HA ' HD22 ' A' ' 44' ' ' LEU . 74.4 Cg_endo -62.38 -4.44 5.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 121.494 1.463 . . . . 10.0 112.814 -167.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.14 5.79 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.81 1.644 . . . . 10.0 111.831 170.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.41 -41.5 96.59 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.906 1.685 . . . . 10.0 109.433 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 44' ' ' LEU 0.397 0.2 OUTLIER -61.71 -45.48 93.78 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.188 -1.386 . . . . 10.0 108.26 179.722 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -77.08 -18.71 57.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 123.626 2.921 . . . . 10.0 108.842 -168.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.65 82.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 167.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.6 -54.2 35.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 121.172 -0.955 . . . . 10.0 109.792 168.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -55.31 -24.43 28.77 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.955 1.302 . . . . 10.0 111.572 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -79.79 -53.46 6.77 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 127.82 2.448 . . . . 10.0 113.028 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.9 -34.15 77.32 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.623 1.169 . . . . 10.0 112.477 -178.433 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.0 -44.37 67.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 130.328 3.451 . . . . 10.0 110.391 168.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.4 m -75.47 -41.4 55.7 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.55 -33.51 71.5 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.255 0.934 . . . . 10.0 112.156 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 C-N-CA 124.358 1.063 . . . . 10.0 110.389 175.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.437 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 10.5 t80 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.835 -1.172 . . . . 10.0 107.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -39.66 92.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.601 2.361 . . . . 10.0 112.722 174.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.55 -43.42 80.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.255 1.422 . . . . 10.0 111.435 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.49 95.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.818 1.647 . . . . 10.0 110.795 171.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.86 25.48 0.15 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.505 2.322 . . . . 10.0 113.362 168.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -147.52 23.58 1.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 129.02 2.928 . . . . 10.0 109.578 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.63 -51.27 1.26 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.777 2.431 . . . . 10.0 110.049 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -49.15 -44.41 42.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.686 1.995 . . . . 10.0 113.772 169.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.25 -26.82 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 130.64 3.576 . . . . 10.0 113.852 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.41 14.85 13.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 130.584 3.554 . . . . 10.0 111.988 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.82 -32.5 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 C-N-CA 129.693 3.197 . . . . 10.0 110.06 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 CA--C 1.556 1.196 0 N-CA-C 107.184 -1.413 . . . . 10.0 107.184 166.12 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.12 160.71 43.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.205 1.479 . . . . 10.0 113.204 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.6 p -82.16 148.03 58.87 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 112.405 -2.179 . . . . 10.0 109.383 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 17.1 Cg_exo -64.9 135.46 44.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 120.7 0.933 . . . . 10.0 113.509 -172.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -57.76 -28.07 63.62 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -62.62 -20.37 64.7 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.363 1.245 . . . . 10.0 114.363 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.07 -7.14 74.24 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.711 1.148 . . . . 10.0 114.469 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -138.91 15.39 2.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.291 2.237 . . . . 10.0 112.586 -171.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -53.95 -44.33 70.6 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.944 1.697 . . . . 10.0 113.0 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -75.11 19.31 0.16 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.334 1.054 . . . . 10.0 113.829 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.35 -41.37 1.24 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.276 2.23 . . . . 10.0 110.617 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.79 -50.75 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 126.051 1.74 . . . . 10.0 112.516 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.2 t -74.89 -37.79 62.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.882 0.873 . . . . 10.0 110.653 169.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -14.81 27.31 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.03 -33.7 39.82 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.948 1.299 . . . . 10.0 112.253 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -39.2 85.74 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.81 1.644 . . . . 10.0 111.885 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.88 -15.75 63.22 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -169.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -106.02 -27.37 11.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.111 1.364 . . . . 10.0 113.688 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.17 -40.39 50.27 Favored Glycine 0 N--CA 1.472 1.036 0 O-C-N 120.884 -1.135 . . . . 10.0 112.23 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.32 -38.02 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 C-N-CA 124.449 1.1 . . . . 10.0 111.893 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.65 -21.6 63.53 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -69.91 -27.33 64.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.125 1.33 . . . . 10.0 111.433 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -43.98 18.87 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.857 0.863 . . . . 10.0 112.551 169.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.11 -47.1 84.29 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.937 1.695 . . . . 10.0 111.83 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -56.75 -44.79 82.07 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.454 1.102 . . . . 10.0 109.663 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.95 -52.08 67.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.114 1.366 . . . . 10.0 114.488 173.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -63.55 -37.75 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 119.461 1.028 . . . . 10.0 110.997 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 m -69.65 -27.87 65.41 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 123.763 0.825 . . . . 10.0 111.504 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.75 -29.59 40.57 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.696 -1.253 . . . . 10.0 111.019 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.13 93.55 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.702 -1.249 . . . . 10.0 109.414 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.69 -30.09 68.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.654 1.582 . . . . 10.0 113.312 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.37 -31.7 67.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 121.353 1.888 . . . . 10.0 109.367 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -75.22 -44.42 46.37 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.642 1.177 . . . . 10.0 111.381 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -19.73 61.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.041 -1.037 . . . . 10.0 111.792 -175.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.82 -23.14 36.66 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 125.762 1.625 . . . . 10.0 110.526 169.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.8 -52.41 7.53 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.775 2.43 . . . . 10.0 116.222 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -139.79 48.03 1.44 Allowed Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.412 2.285 . . . . 10.0 109.93 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.571 7.1 Cg_exo -16.03 -91.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 2 N-CA-C 123.912 4.543 . . . . 10.0 123.912 -165.542 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.2 p -74.91 9.47 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -48.47 107.24 0.72 Allowed Pre-proline 0 C--N 1.347 0.49 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 167.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.57 -24.29 42.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 114.706 1.002 . . . . 10.0 114.706 -167.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.68 95.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.036 0.834 . . . . 10.0 112.058 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.58 -43.59 20.37 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.158 1.17 . . . . 10.0 114.158 170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -35.0 79.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.754 1.161 . . . . 10.0 109.698 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.9 -26.86 54.63 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.788 -1.195 . . . . 10.0 111.918 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.68 80.42 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.612 -0.68 . . . . 10.0 111.092 169.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -60.03 -54.99 39.47 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.205 1.002 . . . . 10.0 111.65 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -65.96 -24.33 66.78 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.768 0.794 . . . . 10.0 111.241 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -65.91 -52.0 53.73 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.617 1.167 . . . . 10.0 110.851 169.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.1 -37.1 84.93 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.887 1.275 . . . . 10.0 112.617 -177.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -38.42 62.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.432 3.093 . . . . 10.0 110.889 168.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -79.66 -40.81 28.28 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.889 0.876 . . . . 10.0 113.229 170.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.64 -32.75 69.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.125 0.875 . . . . 10.0 112.15 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -37.78 79.49 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.477 1.111 . . . . 10.0 110.788 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -27.23 64.75 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 121.452 -0.78 . . . . 10.0 111.913 169.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.94 -34.65 69.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.488 1.515 . . . . 10.0 111.457 169.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 5.9 t80 -57.42 -43.08 83.53 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.09 90.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.022 2.129 . . . . 10.0 112.552 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.19 -43.47 78.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.424 1.49 . . . . 10.0 111.95 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.28 82.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.733 1.613 . . . . 10.0 111.045 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.02 22.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.581 2.353 . . . . 10.0 113.78 169.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 t -142.29 16.73 2.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.102 2.561 . . . . 10.0 110.303 168.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -122.88 -50.39 1.95 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 128.048 2.539 . . . . 10.0 110.321 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -49.33 -43.49 43.69 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.609 1.963 . . . . 10.0 113.263 169.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.7 t -54.35 -25.64 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 130.803 3.641 . . . . 10.0 113.846 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -116.18 11.79 15.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 130.539 3.536 . . . . 10.0 112.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.78 -33.05 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 129.187 2.995 . . . . 10.0 110.824 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -58.19 -31.43 67.3 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -55.98 -36.65 68.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.639 2.775 . . . . 10.0 112.091 167.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -32.01 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.952 1.701 . . . . 10.0 112.625 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.28 -44.76 94.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 107.766 -1.198 . . . . 10.0 107.766 168.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.5 -28.71 69.39 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.096 -1.003 . . . . 10.0 113.526 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.19 67.32 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.913 -1.117 . . . . 10.0 111.049 168.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.8 86.01 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.465 -1.397 . . . . 10.0 111.752 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -40.91 83.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 126.722 2.009 . . . . 10.0 110.085 169.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.35 -46.92 87.31 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.704 1.602 . . . . 10.0 111.559 173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.77 -34.23 77.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.154 0.982 . . . . 10.0 112.911 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.39 -35.6 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.063 0.945 . . . . 10.0 112.061 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.02 -38.15 89.97 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.674 -0.641 . . . . 10.0 112.187 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.5 -39.36 81.29 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.41 -0.807 . . . . 10.0 112.276 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -63.4 -14.02 45.9 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.634 1.573 . . . . 10.0 114.03 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -63.39 -21.21 66.15 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.558 1.143 . . . . 10.0 113.602 171.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.989 1.716 . . . . 10.0 113.388 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 111.138 0.051 . . . . 10.0 111.138 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.49 162.28 35.53 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 123.804 1.764 . . . . 10.0 113.771 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -83.21 166.66 33.84 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-N 111.316 -2.675 . . . . 10.0 105.639 165.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -52.79 -2.68 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.089 0 N-CA-C 121.253 3.52 . . . . 10.0 121.253 -169.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 -57.15 -21.91 36.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.836 1.653 . . . . 10.0 113.186 168.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -56.92 -22.6 38.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 171.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.52 -3.2 75.16 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.19 1.376 . . . . 10.0 114.819 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.94 7.05 2.69 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.931 2.092 . . . . 10.0 113.204 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.8 tp -53.48 -48.17 69.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.339 1.455 . . . . 10.0 113.492 -169.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 19.78 0.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -130.69 -45.1 1.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.996 2.118 . . . . 10.0 110.2 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.54 -48.99 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 126.274 1.829 . . . . 10.0 112.617 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 t -73.89 -48.18 32.74 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.123 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -21.84 14.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -50.28 -27.69 6.53 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.731 1.612 . . . . 10.0 113.622 169.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -19.64 62.93 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.4 3.08 . . . . 10.0 116.71 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.67 -28.96 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 119.765 3.246 . . . . 10.0 119.765 -167.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -101.23 -21.95 14.77 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.243 1.383 . . . . 10.0 114.433 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.46 -39.45 6.32 Favored Glycine 0 N--CA 1.472 1.069 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -37.51 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 123.854 0.862 . . . . 10.0 110.514 169.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.24 -22.91 65.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -70.58 -27.04 63.82 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.083 1.31 . . . . 10.0 112.128 169.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -44.01 16.95 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.825 0.85 . . . . 10.0 112.322 169.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -57.56 -46.48 83.88 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.578 1.951 . . . . 10.0 111.767 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.68 -45.85 81.49 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.478 1.111 . . . . 10.0 109.808 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.88 -51.82 68.39 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.222 1.409 . . . . 10.0 114.453 173.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.29 -37.8 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 119.475 1.034 . . . . 10.0 111.042 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -68.45 -27.4 66.14 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 123.438 0.695 . . . . 10.0 111.34 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.67 -29.17 40.79 Favored 'General case' 0 N--CA 1.442 -0.84 0 O-C-N 120.822 -1.174 . . . . 10.0 111.368 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.79 94.78 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.69 -1.256 . . . . 10.0 109.161 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.93 -29.85 69.02 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.508 1.523 . . . . 10.0 113.225 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.12 -31.87 69.33 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.396 1.907 . . . . 10.0 109.231 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -74.74 -44.58 49.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.728 1.211 . . . . 10.0 111.228 169.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -19.74 61.65 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 122.227 1.013 . . . . 10.0 111.828 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.58 36.62 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.869 1.667 . . . . 10.0 110.435 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -52.92 6.94 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.772 2.429 . . . . 10.0 116.12 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -140.05 48.3 1.46 Allowed Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 127.304 2.242 . . . . 10.0 110.041 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.572 7.1 Cg_exo -16.0 -90.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 2 N-CA-C 123.843 4.517 . . . . 10.0 123.843 -165.53 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.84 10.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.985 1.106 . . . . 10.0 113.985 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.79 107.42 0.76 Allowed Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.646 -1.983 . . . . 10.0 105.646 167.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.13 -22.93 46.46 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 N-CA-C 115.785 1.417 . . . . 10.0 115.785 -166.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.18 74.1 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.871 0.76 . . . . 10.0 112.282 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.15 -41.95 24.39 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.119 0.872 . . . . 10.0 113.113 170.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -44.57 95.66 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 117.746 -1.121 . . . . 10.0 108.543 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.01 -19.82 60.52 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 122.198 2.272 . . . . 10.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.82 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.365 0.984 . . . . 10.0 109.636 168.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -61.34 -51.03 70.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 123.897 0.879 . . . . 10.0 110.014 168.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -55.19 -31.4 61.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.357 1.063 . . . . 10.0 112.052 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -72.79 -50.91 21.29 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.318 1.047 . . . . 10.0 111.966 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -65.77 -35.65 81.32 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 124.312 1.045 . . . . 10.0 112.33 -177.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.19 -38.05 65.2 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.536 3.134 . . . . 10.0 111.048 168.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -80.07 -41.12 26.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.69 0.796 . . . . 10.0 112.779 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.93 -33.24 70.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.048 0.84 . . . . 10.0 112.155 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -34.91 76.3 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.5 1.12 . . . . 10.0 110.744 176.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -24.92 60.82 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.504 -0.748 . . . . 10.0 111.517 169.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.43 -34.56 67.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.461 1.504 . . . . 10.0 111.169 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.2 t80 -57.22 -43.41 82.81 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.79 -1.189 . . . . 10.0 107.79 168.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.06 93.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.379 2.271 . . . . 10.0 112.526 174.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.93 -42.96 80.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.494 1.518 . . . . 10.0 111.864 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.71 82.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.802 1.641 . . . . 10.0 110.656 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -76.19 27.11 0.12 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.666 2.387 . . . . 10.0 113.741 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t -144.83 12.95 1.47 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.695 2.798 . . . . 10.0 110.378 168.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -121.49 -51.07 2.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.209 2.604 . . . . 10.0 110.294 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -50.38 -43.36 54.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.597 1.959 . . . . 10.0 113.164 169.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.17 -28.61 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 130.502 3.521 . . . . 10.0 113.584 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -113.98 12.65 18.08 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 130.454 3.502 . . . . 10.0 112.334 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.65 -34.04 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 C-N-CA 129.157 2.983 . . . . 10.0 110.841 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -58.88 -31.88 68.99 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -54.51 -33.7 60.39 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 128.259 2.624 . . . . 10.0 112.098 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -32.21 40.15 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.809 1.644 . . . . 10.0 112.843 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.48 -44.22 90.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-O 122.164 0.983 . . . . 10.0 108.404 168.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.66 -34.26 77.8 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.545 1.138 . . . . 10.0 113.242 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.45 71.54 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.974 -1.079 . . . . 10.0 111.162 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 -34.95 75.02 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.06 -1.025 . . . . 10.0 112.315 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.84 -39.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.322 1.049 . . . . 10.0 110.094 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.73 -50.36 74.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.397 1.079 . . . . 10.0 111.434 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -55.2 -35.84 65.28 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.57 1.077 . . . . 10.0 112.802 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -62.05 -9.88 8.5 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.533 1.533 . . . . 10.0 114.399 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -126.73 -25.56 3.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -64.94 -15.51 62.22 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.035 -1.041 . . . . 10.0 113.164 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.61 -21.82 4.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.653 1.581 . . . . 10.0 113.898 171.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.14 -24.57 67.95 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.007 1.323 . . . . 10.0 114.494 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.1 t60 . . . . . 0 C--O 1.255 1.354 0 C-N-CA 125.608 1.563 . . . . 10.0 113.359 -179.157 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.4 155.73 40.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 123.369 1.557 . . . . 10.0 114.303 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 p -78.77 149.3 74.04 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-N 111.878 -2.419 . . . . 10.0 109.432 168.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -68.0 110.74 2.25 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.739 1.626 . . . . 10.0 110.059 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -47.36 -50.04 23.12 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 115.055 1.502 . . . . 10.0 115.055 -168.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -66.46 -5.44 11.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.73 1.381 . . . . 10.0 114.73 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 13.92 9.63 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.162 1.839 . . . . 10.0 114.43 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -148.98 -36.57 0.17 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.101 1.45 . . . . 10.0 114.674 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.69 -40.08 65.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.414 1.886 . . . . 10.0 112.594 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.43 -12.82 16.1 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.93 -13.4 15.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.077 1.351 . . . . 10.0 113.525 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -97.72 -51.32 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.601 2.361 . . . . 10.0 111.784 -176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.62 -38.87 90.66 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.403 1.081 . . . . 10.0 111.064 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.73 61.89 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.341 0.867 . . . . 10.0 113.341 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -56.68 -45.95 81.45 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.917 -1.115 . . . . 10.0 110.991 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -5.59 1.46 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.588 2.355 . . . . 10.0 114.415 170.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -121.26 -5.34 9.42 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.35 2.26 . . . . 10.0 114.883 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 t -138.93 -31.83 0.7 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.297 1.591 . . . . 10.0 115.297 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.81 -31.26 49.82 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 109.004 -1.638 . . . . 10.0 109.004 168.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -51.05 -36.48 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 C-N-CA 125.908 1.683 . . . . 10.0 111.83 168.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.05 -19.88 64.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.061 0.944 . . . . 10.0 113.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.94 -28.64 64.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.0 1.273 . . . . 10.0 111.551 168.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -44.68 17.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.571 0.748 . . . . 10.0 112.157 169.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.68 -45.23 81.85 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.756 1.622 . . . . 10.0 111.903 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t -58.92 -45.05 91.29 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.071 0.948 . . . . 10.0 110.036 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -57.24 -52.08 66.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.194 1.397 . . . . 10.0 114.067 171.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.21 -37.58 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.438 1.017 . . . . 10.0 111.237 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 m -68.97 -27.71 65.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.445 0.698 . . . . 10.0 111.228 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.2 -28.74 42.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.721 -1.237 . . . . 10.0 111.237 174.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.75 92.03 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.625 -1.297 . . . . 10.0 109.403 167.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.98 -29.4 67.6 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.759 1.624 . . . . 10.0 113.345 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.76 -31.42 68.34 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.299 1.863 . . . . 10.0 109.238 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.91 -44.39 40.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.963 1.305 . . . . 10.0 111.278 169.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -19.65 61.78 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.086 -1.009 . . . . 10.0 111.898 -175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.58 -23.11 34.58 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 125.915 1.686 . . . . 10.0 110.451 169.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 -51.74 8.32 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.775 2.43 . . . . 10.0 116.094 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -140.76 47.46 1.11 Allowed Pre-proline 0 N--CA 1.489 1.516 0 C-N-CA 127.377 2.271 . . . . 10.0 109.748 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.566 7.5 Cg_exo -16.2 -90.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 2 N-CA-C 123.897 4.537 . . . . 10.0 123.897 -165.481 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.45 10.62 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 119.516 1.053 . . . . 10.0 113.802 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -49.48 106.85 0.68 Allowed Pre-proline 0 C--N 1.347 0.488 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 167.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.99 -24.54 45.39 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 N-CA-C 114.917 1.084 . . . . 10.0 114.917 -167.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.31 95.22 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.889 0.768 . . . . 10.0 112.122 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.46 -42.99 21.63 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 171.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -34.66 78.6 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.701 1.137 . . . . 10.0 109.892 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.12 56.71 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.858 1.208 . . . . 10.0 111.764 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.96 81.91 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.152 0.887 . . . . 10.0 111.313 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -61.1 -55.17 35.65 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.21 -0.931 . . . . 10.0 111.535 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.254 0.0 OUTLIER -66.35 -21.63 66.25 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.758 0.661 . . . . 10.0 111.463 -176.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -69.21 -52.78 24.37 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 125.297 1.439 . . . . 10.0 110.744 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -64.8 -37.26 87.0 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 125.037 1.335 . . . . 10.0 112.66 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -38.14 60.81 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 129.551 3.14 . . . . 10.0 111.114 169.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -80.13 -41.25 25.79 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 123.581 0.752 . . . . 10.0 112.955 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.38 -32.63 67.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.073 0.851 . . . . 10.0 112.184 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -37.94 76.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.526 1.13 . . . . 10.0 111.109 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.35 -28.05 64.83 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.728 -0.607 . . . . 10.0 112.167 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.88 -36.51 72.81 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.127 1.771 . . . . 10.0 111.545 169.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 9.6 t80 -56.68 -43.89 80.89 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.694 -1.224 . . . . 10.0 107.694 168.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -38.0 84.91 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.661 2.384 . . . . 10.0 112.741 174.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -69.39 -45.6 68.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.691 1.597 . . . . 10.0 112.213 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.1 82.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.718 1.607 . . . . 10.0 110.965 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -78.44 30.48 0.19 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.539 1.936 . . . . 10.0 114.229 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.7 t -145.48 18.22 1.51 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.683 3.193 . . . . 10.0 110.362 168.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -130.41 -47.29 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.996 2.519 . . . . 10.0 111.444 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 t -54.69 -37.35 65.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.997 1.719 . . . . 10.0 113.17 168.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.5 t -50.93 -25.81 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 130.694 3.598 . . . . 10.0 113.483 170.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -120.0 12.15 11.9 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.624 3.57 . . . . 10.0 111.928 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 t -113.3 -31.05 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 130.221 3.409 . . . . 10.0 110.385 169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -56.47 -28.31 59.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.654 1.182 . . . . 10.0 108.881 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -54.65 -33.17 60.27 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 129.902 3.281 . . . . 10.0 112.642 168.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -84.83 -30.77 24.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.842 2.057 . . . . 10.0 113.672 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.64 -40.97 89.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 122.299 1.047 . . . . 10.0 108.461 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.88 -37.04 85.34 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.994 1.318 . . . . 10.0 112.538 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.03 -10.46 22.08 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 121.168 -0.958 . . . . 10.0 113.092 168.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.77 -33.2 11.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.909 2.084 . . . . 10.0 111.86 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.26 -36.56 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.837 1.255 . . . . 10.0 109.421 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -14.41 1.02 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.008 2.923 . . . . 10.0 113.743 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -122.49 15.14 10.36 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 128.69 2.796 . . . . 10.0 112.338 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -134.37 -30.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.191 1.796 . . . . 10.0 113.392 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -75.1 -5.79 46.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.976 1.71 . . . . 10.0 113.594 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -130.86 146.41 52.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.713 1.205 . . . . 10.0 112.16 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.32 163.04 37.72 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.86 1.664 . . . . 10.0 111.579 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -146.35 144.35 29.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.967 1.307 . . . . 10.0 110.745 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.499 1.519 . . . . 10.0 111.929 -171.03 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.64 161.7 40.64 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 123.425 1.583 . . . . 10.0 113.26 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 14.0 p -78.43 156.55 78.41 Favored Pre-proline 0 N--CA 1.447 -0.624 0 CA-C-N 112.133 -2.303 . . . . 10.0 108.628 167.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 5.1 Cg_exo -72.13 75.79 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.736 2.291 . . . . 10.0 112.654 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -47.51 -33.94 6.92 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.009 2.524 . . . . 10.0 115.15 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -63.02 -19.29 64.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.064 1.135 . . . . 10.0 114.064 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.38 -2.84 87.3 Favored Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.49 1.519 . . . . 10.0 114.617 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.41 -12.76 2.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.865 2.066 . . . . 10.0 113.915 -174.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.56 -50.34 60.27 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.684 1.593 . . . . 10.0 113.63 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.38 16.81 0.56 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.086 0.955 . . . . 10.0 113.53 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.91 -40.64 2.02 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.931 2.092 . . . . 10.0 110.267 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.77 -55.07 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 126.028 1.731 . . . . 10.0 112.513 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -68.13 -36.32 79.51 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.6 0.76 . . . . 10.0 111.044 171.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.84 -29.23 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 -173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -56.14 -24.87 43.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.707 1.203 . . . . 10.0 113.433 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.67 -3.76 38.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.212 2.605 . . . . 10.0 114.714 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.79 -17.16 21.0 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.809 1.781 . . . . 10.0 115.809 -169.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -98.28 -25.68 14.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.06 1.344 . . . . 10.0 114.291 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.91 -40.01 7.28 Favored Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.213 -0.929 . . . . 10.0 111.703 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.73 -34.53 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 C-N-CA 124.418 1.087 . . . . 10.0 110.863 168.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.0 -21.18 64.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.686 1.195 . . . . 10.0 113.978 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -69.94 -27.03 64.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.541 1.519 . . . . 10.0 111.038 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.73 17.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.937 0.895 . . . . 10.0 112.415 169.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.94 -46.59 84.8 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.802 1.641 . . . . 10.0 111.862 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.72 -44.85 82.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.437 1.095 . . . . 10.0 109.937 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -59.33 -51.63 69.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.207 1.403 . . . . 10.0 114.32 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.64 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 119.491 1.041 . . . . 10.0 110.963 177.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 m -69.74 -27.96 65.39 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 123.605 0.762 . . . . 10.0 111.448 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.09 -29.68 43.45 Favored 'General case' 0 N--CA 1.444 -0.768 0 O-C-N 120.801 -1.187 . . . . 10.0 111.145 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.82 92.49 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.716 -1.24 . . . . 10.0 109.562 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.08 -29.93 68.13 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.674 1.59 . . . . 10.0 113.177 169.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.52 -31.99 68.43 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 121.408 1.913 . . . . 10.0 109.144 171.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.13 -44.43 47.07 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.63 1.172 . . . . 10.0 111.431 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -19.77 61.66 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.993 -1.067 . . . . 10.0 111.828 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.92 -23.32 36.28 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.963 1.705 . . . . 10.0 110.455 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -52.14 7.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.796 2.438 . . . . 10.0 116.248 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -140.08 46.63 1.03 Allowed Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 127.361 2.264 . . . . 10.0 110.126 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.579 6.6 Cg_exo -14.9 -91.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 2 N-CA-C 123.99 4.573 . . . . 10.0 123.99 -165.526 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.82 9.46 1.86 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -48.26 107.63 0.78 Allowed Pre-proline 0 C--N 1.347 0.465 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.17 -23.82 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 N-CA-C 114.809 1.042 . . . . 10.0 114.809 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.75 93.44 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.932 0.787 . . . . 10.0 111.947 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.56 -43.35 20.8 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.102 1.149 . . . . 10.0 114.102 171.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -34.8 78.76 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.787 1.176 . . . . 10.0 109.837 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.33 55.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 119.748 1.158 . . . . 10.0 111.79 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.25 79.56 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.21 -0.931 . . . . 10.0 111.33 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.44 -55.26 33.22 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 123.927 0.891 . . . . 10.0 111.557 170.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.257 0.0 OUTLIER -65.98 -24.64 66.83 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.802 0.811 . . . . 10.0 111.25 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.3 m -66.86 -50.64 61.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 124.834 1.253 . . . . 10.0 111.125 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.35 -37.67 83.62 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.417 1.087 . . . . 10.0 112.646 -178.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -39.96 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.296 3.038 . . . . 10.0 110.094 168.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -77.15 -42.21 38.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 171.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -58.57 -33.92 70.48 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.435 1.016 . . . . 10.0 112.27 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.19 -38.46 78.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.257 1.023 . . . . 10.0 110.563 177.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.91 -26.23 63.12 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 169.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.26 -39.38 71.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.232 1.813 . . . . 10.0 111.148 169.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 1.8 t80 -55.29 -44.28 75.58 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 168.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -35.23 80.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.708 2.403 . . . . 10.0 113.002 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.05 -45.87 69.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.288 1.835 . . . . 10.0 111.027 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.29 88.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.132 1.773 . . . . 10.0 110.789 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 27.89 0.19 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.418 2.287 . . . . 10.0 113.306 168.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -144.5 18.32 1.69 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.912 2.885 . . . . 10.0 109.708 168.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -121.75 -51.76 2.03 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 128.027 2.531 . . . . 10.0 110.208 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -53.35 -38.83 63.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.703 2.001 . . . . 10.0 114.325 169.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.53 -44.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 128.561 2.744 . . . . 10.0 111.458 172.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.09 8.02 9.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 129.157 2.983 . . . . 10.0 113.258 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.27 -34.86 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 128.377 2.671 . . . . 10.0 111.234 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -66.14 -24.4 66.66 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.159 -1.422 . . . . 10.0 107.159 166.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -59.04 -36.21 74.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.385 -1.447 . . . . 10.0 110.017 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -33.43 51.81 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.057 1.743 . . . . 10.0 112.984 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -42.31 92.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.988 0.899 . . . . 10.0 110.475 169.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.81 -34.59 78.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.552 -1.343 . . . . 10.0 113.694 172.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.04 71.21 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 120.891 -1.131 . . . . 10.0 111.456 169.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.96 72.31 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.99 -1.069 . . . . 10.0 112.692 169.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.4 -40.23 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.062 0.945 . . . . 10.0 110.283 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.3 -45.06 94.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.634 1.574 . . . . 10.0 112.081 171.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.88 -31.23 69.59 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.722 -1.236 . . . . 10.0 112.978 170.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.5 -2.36 25.37 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 10.0 114.983 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -58.78 158.38 8.18 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.814 -1.179 . . . . 10.0 113.835 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -61.47 104.73 0.44 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.376 1.07 . . . . 10.0 111.233 173.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.97 141.66 57.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.997 0.919 . . . . 10.0 112.571 -173.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -141.33 160.32 40.36 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.312 1.845 . . . . 10.0 110.845 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.008 1.323 . . . . 10.0 113.543 173.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 119.311 -0.376 . . . . 10.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.32 161.88 39.12 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.299 1.44 . . . . 10.0 112.606 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 p -78.46 146.2 69.43 Favored Pre-proline 0 N--CA 1.445 -0.681 0 CA-C-N 113.026 -1.897 . . . . 10.0 109.637 168.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -64.29 125.05 14.36 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 120.623 0.882 . . . . 10.0 113.698 -169.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -61.11 -20.86 63.13 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -57.81 -21.92 44.63 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.373 1.249 . . . . 10.0 114.373 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.49 -5.41 78.99 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.959 1.266 . . . . 10.0 114.823 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -140.48 8.34 2.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.945 2.098 . . . . 10.0 113.076 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -46.07 -49.64 16.18 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.972 2.109 . . . . 10.0 114.507 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.37 12.59 1.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.964 1.098 . . . . 10.0 113.964 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -140.24 10.94 2.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.973 1.709 . . . . 10.0 112.027 169.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.33 -59.19 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 126.378 1.871 . . . . 10.0 110.765 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -66.43 -50.36 63.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.915 0.886 . . . . 10.0 110.191 169.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.71 59.2 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.16 1.17 . . . . 10.0 114.16 -171.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.97 -41.88 64.98 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.241 1.416 . . . . 10.0 110.701 169.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.37 -55.46 7.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.688 1.195 . . . . 10.0 110.909 168.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -29.36 68.43 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.533 2.049 . . . . 10.0 116.533 -169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -88.97 -30.68 18.6 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.403 -0.811 . . . . 10.0 113.077 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.73 -40.98 13.51 Favored Glycine 0 N--CA 1.47 0.941 0 O-C-N 121.457 -0.777 . . . . 10.0 111.723 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -56.13 -40.52 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 C-N-CA 123.556 0.742 . . . . 10.0 110.625 169.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.44 -24.43 65.63 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 113.855 1.058 . . . . 10.0 113.855 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.91 -27.86 65.13 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 120.13 1.332 . . . . 10.0 112.409 169.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -44.56 18.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.681 0.792 . . . . 10.0 112.357 169.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -57.55 -46.74 83.54 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 126.892 2.077 . . . . 10.0 111.646 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.74 -46.5 81.34 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.469 1.108 . . . . 10.0 109.714 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.28 -51.82 68.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.265 1.426 . . . . 10.0 114.48 173.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.99 -37.67 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.396 0.998 . . . . 10.0 110.973 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 m -68.08 -27.64 66.67 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.534 0.734 . . . . 10.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -78.96 -29.0 43.72 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.867 -1.145 . . . . 10.0 111.186 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.91 93.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.608 -1.307 . . . . 10.0 109.306 167.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.45 -29.65 69.17 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.516 1.526 . . . . 10.0 113.4 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.48 -31.4 69.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 121.164 1.802 . . . . 10.0 109.136 172.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -75.46 -44.76 42.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.887 1.275 . . . . 10.0 111.152 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -19.7 61.62 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.025 -1.047 . . . . 10.0 111.798 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.9 37.02 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.948 1.699 . . . . 10.0 110.435 169.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.93 8.06 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.69 2.396 . . . . 10.0 116.164 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -141.34 49.13 1.4 Allowed Pre-proline 0 N--CA 1.49 1.563 0 C-N-CA 127.309 2.244 . . . . 10.0 109.682 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.565 7.3 Cg_exo -17.17 -90.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.187 2 N-CA-C 123.79 4.496 . . . . 10.0 123.79 -165.601 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -76.06 10.53 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 119.699 1.136 . . . . 10.0 113.815 -169.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -49.22 106.92 0.68 Allowed Pre-proline 0 N--CA 1.469 0.493 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 167.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -66.24 -24.18 51.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 N-CA-C 115.9 1.462 . . . . 10.0 115.9 -166.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.3 77.92 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.853 0.751 . . . . 10.0 112.388 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.2 -42.38 23.43 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.038 0.835 . . . . 10.0 112.979 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.15 97.0 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 117.621 -1.18 . . . . 10.0 108.519 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.88 -19.93 60.56 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.258 2.299 . . . . 10.0 112.521 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.63 79.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.332 0.969 . . . . 10.0 109.761 168.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -61.54 -51.02 70.31 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 123.844 0.858 . . . . 10.0 109.974 168.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -54.6 -31.42 57.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.474 1.11 . . . . 10.0 112.084 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -50.57 21.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.189 0.996 . . . . 10.0 112.243 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.42 -34.25 76.85 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 124.2 1.0 . . . . 10.0 112.326 -178.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -43.24 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 129.205 3.002 . . . . 10.0 109.996 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -73.52 -42.21 62.04 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.561 0.745 . . . . 10.0 112.898 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.37 72.47 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.328 -0.858 . . . . 10.0 112.387 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -36.5 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.929 0.892 . . . . 10.0 110.242 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -26.05 65.21 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 121.71 -0.619 . . . . 10.0 112.072 169.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.099 1.759 . . . . 10.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 14.3 t80 -54.87 -42.62 72.26 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 107.679 -1.23 . . . . 10.0 107.679 168.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -35.78 81.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.186 2.194 . . . . 10.0 113.466 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.41 -45.15 80.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.638 1.575 . . . . 10.0 110.741 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.95 98.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.118 1.767 . . . . 10.0 111.189 170.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -79.28 30.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.027 2.131 . . . . 10.0 113.588 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.18 17.77 1.38 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.291 3.037 . . . . 10.0 109.949 168.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -125.33 -51.02 1.64 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 127.361 2.265 . . . . 10.0 110.441 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -51.94 -41.04 61.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.378 1.871 . . . . 10.0 113.791 169.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.9 -29.81 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 130.317 3.447 . . . . 10.0 113.448 170.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -113.14 14.4 19.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 130.352 3.461 . . . . 10.0 112.544 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -34.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 129.308 3.043 . . . . 10.0 110.332 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.09 -20.92 66.71 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 107.443 -1.317 . . . . 10.0 107.443 166.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -60.02 -36.43 77.23 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.641 1.576 . . . . 10.0 109.95 167.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -32.94 45.6 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.307 1.843 . . . . 10.0 112.692 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -42.25 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.964 0.888 . . . . 10.0 110.089 169.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.62 -31.64 72.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 120.568 -1.333 . . . . 10.0 113.742 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.81 70.27 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 119.19 0.904 . . . . 10.0 111.565 169.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.66 -34.96 58.24 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.814 -1.179 . . . . 10.0 112.053 169.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.59 -34.77 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.149 -0.969 . . . . 10.0 109.75 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.97 -46.96 86.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.722 2.009 . . . . 10.0 111.448 173.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.53 -38.38 87.2 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.926 0.89 . . . . 10.0 112.286 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.98 -37.87 87.06 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.16 0.984 . . . . 10.0 112.733 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -71.07 -40.98 71.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.449 1.499 . . . . 10.0 112.552 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -78.88 53.67 1.43 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.093 1.357 . . . . 10.0 112.224 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.72 160.53 5.57 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.798 1.639 . . . . 10.0 113.145 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -68.74 -18.37 64.21 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.208 1.403 . . . . 10.0 113.256 -179.287 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.564 -0.161 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.22 158.11 20.9 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 123.442 1.592 . . . . 10.0 114.883 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -81.57 149.73 65.18 Favored Pre-proline 0 N--CA 1.448 -0.548 0 CA-C-N 112.333 -2.212 . . . . 10.0 109.382 168.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -66.65 109.61 1.68 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 121.084 1.189 . . . . 10.0 113.115 -174.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -20.5 58.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.925 1.454 . . . . 10.0 114.925 -173.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -58.78 -22.95 59.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.907 1.283 . . . . 10.0 114.415 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 -3.7 82.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.633 1.111 . . . . 10.0 114.767 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -142.24 7.13 1.76 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.447 2.299 . . . . 10.0 113.098 -170.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 tp -48.73 -51.24 29.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.307 1.843 . . . . 10.0 114.65 -168.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.15 10.33 1.59 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.375 1.25 . . . . 10.0 114.375 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -122.87 -32.14 3.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.225 1.81 . . . . 10.0 111.343 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -82.59 -60.87 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 126.016 1.726 . . . . 10.0 111.903 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -60.84 -39.2 88.18 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.873 0.869 . . . . 10.0 110.962 172.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.74 69.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -58.87 -29.23 66.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.421 1.088 . . . . 10.0 112.806 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.61 -28.8 15.19 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.654 2.382 . . . . 10.0 112.872 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.31 -19.92 16.52 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.014 1.857 . . . . 10.0 116.014 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -95.0 -25.98 16.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.144 1.165 . . . . 10.0 114.144 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.94 -40.58 6.6 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 121.015 -1.053 . . . . 10.0 111.573 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG21 ' CD1' ' A' ' 57' ' ' TYR . 2.1 p -57.53 -33.73 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 124.458 1.103 . . . . 10.0 110.695 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.42 -24.21 64.71 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.196 0.998 . . . . 10.0 113.467 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.35 -23.35 62.79 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.035 1.289 . . . . 10.0 110.943 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.381 0.4 OUTLIER -85.53 -42.64 14.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.467 0.707 . . . . 10.0 112.285 168.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -55.61 -47.86 75.84 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 126.577 1.951 . . . . 10.0 111.799 173.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.4 -45.19 84.81 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 124.539 1.136 . . . . 10.0 109.888 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -59.3 -50.12 75.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.549 1.54 . . . . 10.0 114.213 173.473 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.54 -38.49 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 119.458 1.026 . . . . 10.0 110.638 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.9 m -68.31 -27.47 66.32 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.581 0.752 . . . . 10.0 111.268 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.93 -29.44 39.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.997 -1.065 . . . . 10.0 111.021 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.2 96.38 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.75 -1.218 . . . . 10.0 109.23 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.99 -29.86 68.98 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.467 1.507 . . . . 10.0 113.181 169.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.94 -33.38 70.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 121.544 1.975 . . . . 10.0 109.182 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -72.71 -44.16 62.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.538 1.135 . . . . 10.0 111.236 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.95 -19.95 61.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.01 -1.056 . . . . 10.0 111.855 -175.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.63 38.44 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 125.984 1.714 . . . . 10.0 110.242 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.32 -53.47 6.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.031 2.533 . . . . 10.0 116.533 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -139.56 49.04 1.81 Allowed Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 127.407 2.283 . . . . 10.0 109.544 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.568 6.7 Cg_exo -17.09 -89.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 2 N-CA-C 123.863 4.524 . . . . 10.0 123.863 -165.593 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 10.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.548 1.067 . . . . 10.0 113.876 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.35 107.09 0.71 Allowed Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 167.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.6 -23.95 48.97 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 N-CA-C 115.956 1.483 . . . . 10.0 115.956 -166.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.5 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.793 0.724 . . . . 10.0 112.237 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.22 -41.95 24.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.177 0.899 . . . . 10.0 112.564 170.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -45.26 92.96 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 117.84 -1.076 . . . . 10.0 108.699 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.01 -19.83 60.51 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 121.925 2.148 . . . . 10.0 112.229 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.18 78.26 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.499 1.045 . . . . 10.0 109.81 168.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -61.69 -52.71 63.2 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 118.649 -0.691 . . . . 10.0 109.623 168.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -54.23 -31.7 54.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 10.0 112.197 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.4 m -72.35 -55.25 7.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.074 0.95 . . . . 10.0 111.586 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -63.06 -37.36 86.88 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.627 1.171 . . . . 10.0 112.126 -177.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.32 -42.32 61.13 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 129.349 3.06 . . . . 10.0 110.942 168.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -78.34 -41.99 31.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.704 0.801 . . . . 10.0 112.615 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -57.99 -35.16 70.82 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 118.779 0.718 . . . . 10.0 111.548 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -32.18 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.848 1.259 . . . . 10.0 110.243 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -26.41 60.44 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.984 -0.447 . . . . 10.0 111.282 168.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.01 -35.37 66.79 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.305 1.842 . . . . 10.0 111.396 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -55.87 -43.56 77.26 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 168.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -42.2 99.45 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 128.271 2.628 . . . . 10.0 112.704 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.79 -44.23 81.85 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.345 1.458 . . . . 10.0 111.553 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.83 90.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.699 1.6 . . . . 10.0 110.719 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 25.34 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.095 1.758 . . . . 10.0 114.751 169.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t -143.39 16.05 1.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 128.82 2.848 . . . . 10.0 110.394 168.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.98 -49.65 1.96 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.012 2.525 . . . . 10.0 110.219 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 t -49.75 -42.93 47.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.669 1.988 . . . . 10.0 113.246 169.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.5 -26.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 130.793 3.637 . . . . 10.0 113.704 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -113.95 11.93 17.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 130.446 3.498 . . . . 10.0 112.046 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.7 t -114.11 -33.77 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 129.111 2.964 . . . . 10.0 110.945 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -58.2 -32.63 68.44 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 167.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -55.58 -35.22 65.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.565 2.746 . . . . 10.0 112.135 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -31.03 38.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 126.095 1.758 . . . . 10.0 112.893 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 168.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.78 -36.84 85.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.219 1.008 . . . . 10.0 113.123 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.56 -13.77 59.68 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 120.884 -1.135 . . . . 10.0 112.353 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.53 -33.88 15.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.768 1.627 . . . . 10.0 111.781 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.3 -38.72 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.884 1.274 . . . . 10.0 109.267 169.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -47.86 74.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.102 2.161 . . . . 10.0 111.851 169.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.09 -28.18 67.13 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.93 -1.106 . . . . 10.0 113.92 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.67 -16.67 41.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.648 1.579 . . . . 10.0 114.021 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -62.04 -21.53 64.98 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.73 -1.231 . . . . 10.0 113.397 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.7 t60 14.62 60.32 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 131.22 3.808 . . . . 10.0 117.145 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.39 132.68 42.2 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.117 -0.99 . . . . 10.0 110.281 169.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -69.84 146.32 51.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.648 0.779 . . . . 10.0 112.076 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.804 1.642 . . . . 10.0 111.509 176.085 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.424 0.154 . . . . 10.0 111.395 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.88 159.53 43.81 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 123.008 1.385 . . . . 10.0 113.18 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.4 p -81.55 145.85 55.81 Favored Pre-proline 0 C--O 1.239 0.518 0 CA-C-N 112.698 -2.046 . . . . 10.0 109.911 168.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 12.8 Cg_exo -64.86 135.32 44.03 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 120.86 1.04 . . . . 10.0 112.939 -173.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -55.15 -40.64 70.82 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.518 0.932 . . . . 10.0 113.518 -170.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.52 -1.74 3.95 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.498 1.295 . . . . 10.0 114.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.11 23.68 4.61 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.052 1.787 . . . . 10.0 113.683 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -150.08 -43.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.699 1.599 . . . . 10.0 113.56 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.94 -37.15 68.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.336 1.854 . . . . 10.0 112.444 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.83 -16.42 40.89 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -97.4 -34.88 10.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.301 1.04 . . . . 10.0 112.888 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.9 t -71.46 -55.68 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.304 1.841 . . . . 10.0 111.591 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -65.62 -29.16 69.71 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.577 1.151 . . . . 10.0 112.226 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.16 -24.45 67.69 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.932 -1.105 . . . . 10.0 113.378 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -62.47 -35.19 78.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.041 0.936 . . . . 10.0 112.375 170.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -49.43 60.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.58 1.152 . . . . 10.0 108.492 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.98 -24.77 55.69 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.055 1.872 . . . . 10.0 116.055 -171.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -98.26 -28.04 13.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.017 1.118 . . . . 10.0 114.017 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.63 -39.36 18.05 Favored Glycine 0 N--CA 1.472 1.099 0 O-C-N 120.969 -1.082 . . . . 10.0 111.964 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -37.29 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 124.594 1.158 . . . . 10.0 111.263 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.74 -23.64 64.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -26.97 64.61 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 120.064 1.302 . . . . 10.0 111.891 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.3 -43.61 18.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.801 0.84 . . . . 10.0 112.506 169.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.94 -47.11 83.85 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 126.416 1.886 . . . . 10.0 111.784 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.8 -45.39 82.26 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.557 1.143 . . . . 10.0 109.758 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.76 68.46 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.142 1.377 . . . . 10.0 114.482 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.45 -37.85 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.494 1.043 . . . . 10.0 111.033 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -67.71 -27.45 66.82 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 123.575 0.75 . . . . 10.0 111.331 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.83 -28.2 40.16 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 120.826 -1.171 . . . . 10.0 111.427 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.25 91.83 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.406 -1.434 . . . . 10.0 109.121 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -67.96 -29.82 68.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.455 1.502 . . . . 10.0 113.274 169.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.37 -31.94 68.11 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.421 1.919 . . . . 10.0 109.441 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -75.11 -44.61 46.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.814 1.246 . . . . 10.0 111.357 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -19.73 61.69 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 122.212 1.005 . . . . 10.0 111.859 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.85 -22.98 36.66 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.814 1.645 . . . . 10.0 110.444 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -52.42 7.54 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.792 2.437 . . . . 10.0 116.235 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -140.53 48.77 1.48 Allowed Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 127.378 2.271 . . . . 10.0 109.653 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.564 7.4 Cg_exo -16.87 -90.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 2 N-CA-C 123.862 4.524 . . . . 10.0 123.862 -165.539 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.92 10.57 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 119.581 1.082 . . . . 10.0 113.848 -169.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.19 106.68 0.65 Allowed Pre-proline 0 N--CA 1.469 0.517 0 N-CA-C 105.816 -1.92 . . . . 10.0 105.816 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.09 -23.87 52.81 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 N-CA-C 115.993 1.497 . . . . 10.0 115.993 -166.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.82 76.1 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.873 0.76 . . . . 10.0 112.583 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.14 -42.0 24.34 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.151 0.887 . . . . 10.0 112.942 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -44.6 94.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 117.705 -1.141 . . . . 10.0 108.243 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.05 -19.86 60.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 122.249 2.295 . . . . 10.0 112.434 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.17 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.412 1.005 . . . . 10.0 109.697 168.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.83 -51.34 69.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.96 0.904 . . . . 10.0 109.923 168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -54.79 -31.19 58.65 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.378 1.071 . . . . 10.0 112.09 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -73.57 -50.24 22.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.199 1.0 . . . . 10.0 112.067 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.82 -36.15 81.71 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 124.263 1.025 . . . . 10.0 112.047 -177.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.16 -40.55 61.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.354 3.062 . . . . 10.0 110.474 168.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 m -78.69 -41.18 31.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.987 0.915 . . . . 10.0 113.108 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -58.81 -34.5 71.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.33 0.968 . . . . 10.0 112.156 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.35 83.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.349 1.06 . . . . 10.0 110.369 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.69 -25.36 62.93 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 121.68 -0.637 . . . . 10.0 112.641 169.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.91 -38.45 69.9 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.89 1.676 . . . . 10.0 111.457 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.3 t80 -54.9 -43.63 73.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 168.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -35.32 80.07 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.098 2.159 . . . . 10.0 113.43 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.1 -44.49 76.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.643 1.577 . . . . 10.0 110.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.26 97.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.593 1.557 . . . . 10.0 111.353 170.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -81.78 33.36 0.37 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.209 1.804 . . . . 10.0 114.179 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 t -137.92 -24.66 1.01 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 129.787 3.235 . . . . 10.0 109.88 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -75.33 -52.4 10.91 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.12 1.768 . . . . 10.0 113.925 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -52.06 -40.47 61.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.782 2.033 . . . . 10.0 114.273 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -57.78 -30.77 38.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 129.716 3.206 . . . . 10.0 112.179 173.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.56 11.89 38.52 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 129.952 3.301 . . . . 10.0 113.954 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.5 t -114.78 -35.11 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 128.638 2.775 . . . . 10.0 111.16 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.54 -29.47 69.16 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.388 -0.967 . . . . 10.0 108.388 167.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -53.32 -34.1 56.07 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 127.786 2.434 . . . . 10.0 111.462 167.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.68 -29.12 40.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.497 1.519 . . . . 10.0 113.022 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.54 -44.0 77.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 168.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.57 -31.75 72.97 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.369 1.068 . . . . 10.0 113.346 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.54 74.02 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.231 1.012 . . . . 10.0 111.227 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.38 66.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 10.0 112.573 169.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.24 -41.6 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.759 1.223 . . . . 10.0 110.725 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -56.25 -51.44 68.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.598 . . . . 10.0 110.777 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.58 -32.95 74.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.884 1.273 . . . . 10.0 113.262 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -57.95 -21.15 42.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.389 1.476 . . . . 10.0 113.881 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -123.94 8.04 8.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.449 1.5 . . . . 10.0 113.184 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 40.44 -32.99 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 1 C-N-CA 132.195 4.198 . . . . 10.0 120.763 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -156.3 165.25 36.92 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 121.045 1.748 . . . . 10.0 112.469 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.05 151.92 29.5 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.116 1.367 . . . . 10.0 112.329 169.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.679 1.592 . . . . 10.0 111.436 179.432 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.35 162.99 19.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 124.209 1.957 . . . . 10.0 115.435 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -78.23 167.19 37.58 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 110.846 -2.888 . . . . 10.0 106.96 166.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -67.96 43.94 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 123.347 2.698 . . . . 10.0 117.219 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -46.99 -40.46 14.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.834 2.454 . . . . 10.0 113.928 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -59.06 -18.23 33.01 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.67 -0.21 64.66 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.397 1.475 . . . . 10.0 114.802 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.2 -12.78 1.4 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.165 1.786 . . . . 10.0 113.719 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -40.26 -52.55 2.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.654 2.782 . . . . 10.0 114.605 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.47 8.36 2.89 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.233 1.197 . . . . 10.0 114.233 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.37 0.63 6.33 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.572 1.549 . . . . 10.0 112.43 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -112.55 -62.29 2.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 C-N-CA 127.102 2.161 . . . . 10.0 110.702 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -61.88 -33.93 75.1 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.186 0.994 . . . . 10.0 111.938 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -15.34 47.92 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.968 1.099 . . . . 10.0 113.968 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -55.62 -38.29 69.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.058 0.943 . . . . 10.0 111.69 169.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.6 83.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.958 1.303 . . . . 10.0 111.64 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -18.39 58.04 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.978 1.473 . . . . 10.0 114.978 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -109.84 -24.83 10.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.414 1.485 . . . . 10.0 114.163 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.65 60.05 Favored Glycine 0 N--CA 1.472 1.087 0 O-C-N 120.691 -1.256 . . . . 10.0 112.547 171.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -37.8 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 C-N-CA 124.989 1.315 . . . . 10.0 111.853 169.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.77 -20.74 63.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -70.28 -27.09 64.14 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 120.129 1.331 . . . . 10.0 111.525 168.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -44.87 17.31 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.064 0.946 . . . . 10.0 112.399 169.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.46 -47.81 78.4 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.877 1.671 . . . . 10.0 112.01 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.65 -44.59 81.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.377 1.071 . . . . 10.0 109.891 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.62 -51.99 67.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.201 1.4 . . . . 10.0 114.474 172.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -37.53 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 119.489 1.04 . . . . 10.0 111.058 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -69.83 -27.93 65.27 Favored 'General case' 0 C--O 1.219 -0.54 0 C-N-CA 123.852 0.861 . . . . 10.0 111.527 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -79.44 -29.23 41.74 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 120.777 -1.202 . . . . 10.0 110.986 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.64 91.73 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.636 -1.29 . . . . 10.0 109.461 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.87 -29.97 68.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.657 1.583 . . . . 10.0 113.288 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.39 -31.47 67.71 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 121.31 1.868 . . . . 10.0 109.221 171.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.93 -44.44 40.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.846 1.258 . . . . 10.0 111.482 169.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -19.79 61.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.994 -1.066 . . . . 10.0 111.801 -175.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.65 -23.33 37.0 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.848 1.659 . . . . 10.0 110.44 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -52.15 7.81 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.735 2.414 . . . . 10.0 116.12 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -140.27 47.63 1.23 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 127.286 2.234 . . . . 10.0 110.089 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.573 6.6 Cg_exo -15.94 -91.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.104 2 N-CA-C 123.931 4.551 . . . . 10.0 123.931 -165.444 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.92 9.54 1.86 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.998 1.11 . . . . 10.0 113.998 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -48.49 107.6 0.78 Allowed Pre-proline 0 N--CA 1.469 0.499 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 167.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.01 -24.01 39.73 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 N-CA-C 114.65 0.981 . . . . 10.0 114.65 -167.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.82 94.13 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.033 0.833 . . . . 10.0 111.959 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 -43.59 20.51 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.173 1.175 . . . . 10.0 114.173 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.85 78.81 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.797 1.181 . . . . 10.0 109.732 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.84 -27.3 55.07 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.721 -1.237 . . . . 10.0 112.008 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.43 77.76 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.45 -0.781 . . . . 10.0 111.26 169.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.12 -54.98 37.81 Favored 'General case' 0 CA--C 1.503 -0.861 0 O-C-N 121.158 -0.964 . . . . 10.0 111.69 170.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -65.87 -24.83 66.95 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.846 0.831 . . . . 10.0 111.146 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -66.6 -50.25 63.65 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.452 1.101 . . . . 10.0 111.127 169.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.05 -37.54 84.25 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.561 1.145 . . . . 10.0 112.798 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -37.82 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 129.381 3.072 . . . . 10.0 110.557 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -79.4 -41.22 28.2 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -58.28 -34.2 70.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.506 1.048 . . . . 10.0 112.088 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.09 80.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.325 1.05 . . . . 10.0 110.681 177.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -25.36 62.36 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.623 -0.673 . . . . 10.0 112.328 169.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -71.94 -36.24 69.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.964 1.706 . . . . 10.0 111.556 169.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.3 t80 -55.81 -42.6 75.89 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.397 1.094 . . . . 10.0 108.359 168.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -39.73 89.02 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.47 2.308 . . . . 10.0 113.35 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -66.42 -40.3 89.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.506 1.522 . . . . 10.0 111.124 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -60.9 -41.35 95.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.219 1.408 . . . . 10.0 110.833 170.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -76.89 32.23 0.14 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.045 2.138 . . . . 10.0 114.452 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 60' ' ' ALA . 23.0 t -140.98 -38.6 0.42 Allowed 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.099 2.959 . . . . 10.0 108.208 168.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -58.59 -53.17 61.31 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 125.428 1.491 . . . . 10.0 112.409 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 t -53.25 -46.58 69.25 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.885 2.074 . . . . 10.0 114.415 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 t -57.95 -35.66 52.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 129.139 2.975 . . . . 10.0 111.46 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -97.19 10.97 37.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 130.817 3.647 . . . . 10.0 113.803 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.5 -31.82 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 C-N-CA 129.228 3.011 . . . . 10.0 110.938 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -58.53 -34.79 71.39 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 107.603 -1.258 . . . . 10.0 107.603 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -56.61 -32.16 65.0 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 128.546 2.738 . . . . 10.0 112.257 167.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -29.08 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.818 1.647 . . . . 10.0 112.974 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.35 -43.49 94.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 108.035 -1.098 . . . . 10.0 108.035 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.163 1.385 . . . . 10.0 113.427 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.36 67.03 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 120.424 -1.423 . . . . 10.0 111.262 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -36.47 72.96 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.489 -1.382 . . . . 10.0 111.409 169.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.38 -39.55 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.302 1.441 . . . . 10.0 110.617 170.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -50.21 73.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.378 1.471 . . . . 10.0 110.909 172.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.02 -28.95 69.42 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.084 -1.01 . . . . 10.0 113.622 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -60.49 -18.13 49.7 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.745 1.218 . . . . 10.0 114.012 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.03 1.84 52.92 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.504 1.298 . . . . 10.0 114.504 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.21 4.02 2.47 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.77 143.96 49.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 120.006 -1.684 . . . . 10.0 112.079 169.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -132.78 -2.21 3.33 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.251 1.204 . . . . 10.0 114.251 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 C--O 1.254 1.328 0 C-N-CA 126.534 1.934 . . . . 10.0 111.008 -178.056 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.77 159.23 40.49 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 123.515 1.626 . . . . 10.0 113.679 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -78.97 159.29 73.71 Favored Pre-proline 0 N--CA 1.443 -0.789 0 CA-C-N 111.704 -2.498 . . . . 10.0 106.661 166.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.63 -5.23 5.41 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 N-CA-C 116.239 1.592 . . . . 10.0 116.239 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -139.57 20.6 2.54 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.972 1.709 . . . . 10.0 114.552 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -52.25 -25.82 10.31 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.117 1.895 . . . . 10.0 116.117 -174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.87 6.65 82.61 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.18 1.371 . . . . 10.0 115.081 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -145.49 -56.14 0.31 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.808 1.643 . . . . 10.0 113.09 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.95 -31.88 73.06 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.357 2.263 . . . . 10.0 113.026 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.48 -3.61 9.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.37 1.248 . . . . 10.0 114.37 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -121.67 13.03 10.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.901 1.68 . . . . 10.0 112.525 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.65 -58.82 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 127.762 2.425 . . . . 10.0 110.598 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -64.36 -31.9 73.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.048 0.939 . . . . 10.0 112.214 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.16 67.81 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.039 1.126 . . . . 10.0 114.039 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.455 1.102 . . . . 10.0 113.559 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -97.55 -34.72 10.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.815 1.246 . . . . 10.0 112.442 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -24.58 -60.74 0.06 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.849 2.86 . . . . 10.0 118.426 -168.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 t -87.36 -29.15 21.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.89 -37.99 37.28 Favored Glycine 0 N--CA 1.47 0.924 0 O-C-N 121.242 -0.911 . . . . 10.0 111.385 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.09 -39.67 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.753 0 C-N-CA 123.998 0.919 . . . . 10.0 110.591 169.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.81 -24.82 62.62 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.514 0.931 . . . . 10.0 113.514 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.4 -26.12 64.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.156 1.343 . . . . 10.0 112.443 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -41.5 17.67 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.996 0.918 . . . . 10.0 112.914 169.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -59.45 -46.41 88.85 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 127.203 2.201 . . . . 10.0 111.492 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.2 -44.94 79.95 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.527 1.131 . . . . 10.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.19 -51.6 69.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.19 1.396 . . . . 10.0 114.581 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -37.4 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 119.628 1.103 . . . . 10.0 110.98 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 m -69.43 -28.19 65.92 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.934 0.894 . . . . 10.0 111.273 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 -28.7 43.62 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 120.838 -1.164 . . . . 10.0 111.106 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.54 90.25 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.657 -1.277 . . . . 10.0 109.537 167.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.85 -29.64 68.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.716 1.606 . . . . 10.0 113.252 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -30.82 67.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.26 1.845 . . . . 10.0 109.32 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -76.73 -44.43 33.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.067 1.347 . . . . 10.0 111.438 169.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -19.81 61.61 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.997 -1.064 . . . . 10.0 111.751 -175.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.34 -23.45 37.77 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.828 1.651 . . . . 10.0 110.406 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -51.85 8.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.667 2.387 . . . . 10.0 116.206 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -140.82 48.56 1.35 Allowed Pre-proline 0 N--CA 1.489 1.505 0 C-N-CA 127.254 2.222 . . . . 10.0 110.024 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.574 6.9 Cg_exo -16.67 -90.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 2 N-CA-C 123.987 4.572 . . . . 10.0 123.987 -165.399 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.5 p -75.1 9.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 119.753 1.161 . . . . 10.0 114.057 -169.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -48.66 107.79 0.82 Allowed Pre-proline 0 N--CA 1.469 0.476 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 167.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.23 -23.95 38.46 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 N-CA-C 114.731 1.012 . . . . 10.0 114.731 -167.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.52 94.5 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.085 0.857 . . . . 10.0 111.917 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.57 -43.86 19.94 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -34.66 78.35 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.832 -1.168 . . . . 10.0 109.793 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.44 -29.13 56.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.786 -1.196 . . . . 10.0 111.839 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.23 83.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.274 -0.891 . . . . 10.0 111.423 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -61.07 -55.3 34.26 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 124.122 0.969 . . . . 10.0 111.609 171.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -65.67 -25.98 67.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.785 0.802 . . . . 10.0 111.276 -176.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -65.83 -50.13 65.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 124.579 1.152 . . . . 10.0 111.2 169.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.29 -37.69 83.82 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.168 0.987 . . . . 10.0 112.52 -178.329 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -35.97 61.41 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 129.675 3.19 . . . . 10.0 110.637 168.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.19 -42.62 23.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 170.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -58.63 -34.44 71.19 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.289 0.949 . . . . 10.0 112.331 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -34.58 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.692 1.197 . . . . 10.0 111.058 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -74.68 -25.86 59.45 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.039 0.536 . . . . 10.0 112.416 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.96 -38.55 69.75 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.112 1.765 . . . . 10.0 111.536 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 -54.99 -44.16 74.23 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 168.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -39.31 93.93 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 126.976 2.111 . . . . 10.0 112.845 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.73 -44.16 86.83 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.448 1.499 . . . . 10.0 111.024 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.79 97.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.105 1.762 . . . . 10.0 111.442 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -79.15 25.75 0.29 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.455 1.502 . . . . 10.0 113.537 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -141.05 18.12 2.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.247 3.019 . . . . 10.0 109.669 168.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -122.32 -51.32 1.98 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 127.478 2.311 . . . . 10.0 110.333 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -49.81 -43.05 48.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.708 2.003 . . . . 10.0 113.645 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.1 -28.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 130.535 3.534 . . . . 10.0 113.588 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -115.06 15.96 17.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 130.447 3.499 . . . . 10.0 112.404 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.8 t -115.8 -33.22 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 129.493 3.117 . . . . 10.0 110.258 173.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -64.94 -20.19 66.34 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -63.49 -35.54 80.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.438 1.895 . . . . 10.0 110.716 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.63 -33.48 60.5 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.554 1.542 . . . . 10.0 113.152 172.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.98 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 122.268 1.033 . . . . 10.0 111.138 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.2 -32.88 74.79 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 120.326 -1.484 . . . . 10.0 113.484 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -29.54 70.52 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.757 -1.215 . . . . 10.0 111.466 169.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.13 69.1 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.803 -1.185 . . . . 10.0 112.26 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.69 -37.84 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.719 1.208 . . . . 10.0 110.805 170.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.03 -42.4 90.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.654 1.581 . . . . 10.0 111.798 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -66.63 -4.61 9.12 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 169.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -114.81 6.97 15.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.348 2.259 . . . . 10.0 112.349 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.12 -24.67 63.18 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.838 1.655 . . . . 10.0 115.186 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -143.0 152.15 41.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.503 1.121 . . . . 10.0 112.012 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -79.14 -6.72 57.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.919 1.452 . . . . 10.0 114.919 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -149.06 157.66 43.58 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.33 1.452 . . . . 10.0 111.597 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.905 1.682 . . . . 10.0 111.062 179.742 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpt . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.59 159.61 16.74 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.859 1.314 . . . . 10.0 113.054 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -85.71 153.49 58.12 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 112.781 -2.008 . . . . 10.0 108.007 167.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.55 -39.75 89.21 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 N-CA-C 116.386 1.649 . . . . 10.0 116.386 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 -150.71 -61.46 0.19 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -50.0 -22.64 1.65 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 118.947 2.943 . . . . 10.0 118.947 -168.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.36 1.5 82.23 Favored Glycine 0 CA--C 1.539 1.58 0 CA-C-N 119.828 1.195 . . . . 10.0 114.842 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -143.02 -40.1 0.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.867 2.067 . . . . 10.0 113.569 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.46 -42.83 67.59 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.102 1.761 . . . . 10.0 114.18 -169.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.33 -25.84 59.99 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -172.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -97.51 -41.62 8.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.022 0.929 . . . . 10.0 113.014 169.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.95 -47.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.407 1.483 . . . . 10.0 112.19 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -64.45 -47.57 78.54 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.758 1.223 . . . . 10.0 111.804 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.13 -32.57 72.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 119.284 -0.966 . . . . 10.0 112.371 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -66.11 -40.21 90.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.81 2.044 . . . . 10.0 112.295 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -18.33 60.69 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 115.72 1.748 . . . . 10.0 115.72 177.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -35.92 -39.13 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 118.552 2.797 . . . . 10.0 118.552 -168.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -105.31 -25.06 12.56 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 -40.73 69.49 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 120.685 -1.259 . . . . 10.0 111.271 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.96 -37.1 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 125.374 1.47 . . . . 10.0 111.594 169.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.05 -22.61 59.48 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.527 0.936 . . . . 10.0 113.527 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.6 -27.09 64.8 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 120.054 1.297 . . . . 10.0 110.818 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -45.35 17.2 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 170.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -54.43 -48.04 72.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.116 1.766 . . . . 10.0 111.971 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -57.71 -43.88 85.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.406 1.003 . . . . 10.0 110.012 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.73 -52.36 65.76 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.203 1.401 . . . . 10.0 114.318 170.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -37.5 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.785 1.175 . . . . 10.0 111.463 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -70.52 -27.68 64.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.035 0.934 . . . . 10.0 111.048 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.04 -28.84 43.28 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.972 -1.08 . . . . 10.0 111.201 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.9 92.5 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.618 -1.301 . . . . 10.0 109.562 167.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.71 -29.57 68.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.704 1.602 . . . . 10.0 113.076 169.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.57 -31.86 68.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 121.402 1.91 . . . . 10.0 109.228 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.36 -44.26 46.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.913 1.285 . . . . 10.0 111.336 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -19.82 61.37 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.051 -1.031 . . . . 10.0 111.88 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.72 -23.17 36.92 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 125.885 1.674 . . . . 10.0 110.315 169.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.78 -52.24 7.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.684 2.394 . . . . 10.0 116.184 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -140.44 48.28 1.37 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 127.205 2.202 . . . . 10.0 110.007 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.6 Cg_exo -16.37 -90.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 2 N-CA-C 123.975 4.567 . . . . 10.0 123.975 -165.56 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.06 9.43 1.97 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.001 1.111 . . . . 10.0 114.001 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.73 107.72 0.81 Allowed Pre-proline 0 C--N 1.347 0.473 0 N-CA-C 106.147 -1.797 . . . . 10.0 106.147 167.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.05 -24.38 39.03 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 N-CA-C 114.884 1.071 . . . . 10.0 114.884 -167.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.01 93.99 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.018 0.827 . . . . 10.0 112.008 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.58 -43.53 20.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -35.03 79.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.776 1.171 . . . . 10.0 109.893 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.85 -27.66 55.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.805 1.184 . . . . 10.0 111.891 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.25 80.66 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.475 -0.766 . . . . 10.0 111.125 169.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.86 -54.95 38.8 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.158 -0.964 . . . . 10.0 111.71 170.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.86 0.838 . . . . 10.0 111.066 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -66.45 -49.6 66.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.575 1.15 . . . . 10.0 111.27 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.76 -38.18 83.1 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.692 1.197 . . . . 10.0 112.63 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -36.34 61.14 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 129.479 3.111 . . . . 10.0 110.457 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -80.11 -42.38 23.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.216 0.821 . . . . 10.0 113.216 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -57.74 -35.41 70.67 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.699 1.136 . . . . 10.0 112.25 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -33.42 74.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.798 1.239 . . . . 10.0 111.305 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -78.02 -22.63 48.94 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.371 0.669 . . . . 10.0 112.695 169.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -74.3 -38.88 63.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.707 2.003 . . . . 10.0 111.245 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.1 t80 -54.63 -42.39 71.16 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.454 1.121 . . . . 10.0 108.196 168.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -66.23 -39.26 89.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.296 2.638 . . . . 10.0 113.308 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -66.1 -42.1 89.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.776 1.63 . . . . 10.0 111.18 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.899 1.68 . . . . 10.0 110.369 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.29 30.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 123.508 1.623 . . . . 10.0 113.773 168.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 t -142.29 12.75 1.98 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 129.996 3.318 . . . . 10.0 110.505 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -123.07 -48.71 1.98 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 127.918 2.487 . . . . 10.0 111.117 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 t -55.47 -35.96 66.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.279 1.831 . . . . 10.0 113.358 168.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.48 -32.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 129.899 3.28 . . . . 10.0 112.819 170.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -101.23 11.38 39.47 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 129.857 3.263 . . . . 10.0 112.797 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -116.63 -33.47 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 129.196 2.998 . . . . 10.0 111.298 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.08 -25.93 65.78 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 167.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.13 -31.29 61.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.647 2.779 . . . . 10.0 112.194 167.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.02 -32.04 50.85 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.85 1.66 . . . . 10.0 113.647 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 -44.04 86.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.237 1.018 . . . . 10.0 108.888 169.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.48 -31.74 72.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 124.588 1.155 . . . . 10.0 113.108 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.74 73.01 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.09 -1.006 . . . . 10.0 111.044 168.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.38 71.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.855 -1.153 . . . . 10.0 112.427 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.98 -37.9 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.195 0.998 . . . . 10.0 110.317 169.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.75 -45.21 92.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.138 1.375 . . . . 10.0 111.884 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.78 -38.51 82.04 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.119 0.872 . . . . 10.0 112.607 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.96 -43.24 99.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.787 0.835 . . . . 10.0 112.058 173.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -56.03 -38.02 69.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.754 1.222 . . . . 10.0 113.722 -171.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -55.47 -14.96 2.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.276 1.584 . . . . 10.0 115.276 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -16.75 6.39 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.366 1.617 . . . . 10.0 115.366 173.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -77.29 -15.78 59.28 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.066 1.346 . . . . 10.0 113.214 -178.49 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.315 0.117 . . . . 10.0 111.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.23 157.3 26.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.523 1.63 . . . . 10.0 114.872 176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p -88.0 151.83 50.01 Favored Pre-proline 0 N--CA 1.443 -0.82 0 CA-C-N 111.94 -2.391 . . . . 10.0 107.714 167.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.54 -28.51 55.56 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 N-CA-C 117.813 2.197 . . . . 10.0 117.813 -168.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -142.54 -2.62 1.07 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -108.83 -3.17 17.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.259 0.936 . . . . 10.0 113.355 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.77 -37.36 0.36 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.511 1.529 . . . . 10.0 112.494 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.6 -50.03 72.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.234 1.017 . . . . 10.0 111.924 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.17 -41.17 78.74 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.96 0.904 . . . . 10.0 111.709 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.14 -5.44 6.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.769 1.227 . . . . 10.0 113.907 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -107.29 -35.68 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.434 1.494 . . . . 10.0 112.068 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.28 -56.11 10.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 125.738 1.615 . . . . 10.0 111.948 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.9 t -63.7 -37.3 86.85 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.663 1.185 . . . . 10.0 111.742 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.71 74.9 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -58.55 -17.29 20.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.24 1.416 . . . . 10.0 113.844 174.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -114.85 4.3 14.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 10.0 115.496 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.67 -15.9 22.73 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.817 1.784 . . . . 10.0 115.817 -169.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -97.14 -30.44 13.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.203 1.401 . . . . 10.0 114.157 171.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.58 -43.03 38.15 Favored Glycine 0 N--CA 1.473 1.133 0 O-C-N 120.664 -1.272 . . . . 10.0 111.799 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 57' ' ' TYR . 8.9 p -58.13 -37.09 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 C-N-CA 124.399 1.08 . . . . 10.0 111.865 169.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.79 -20.01 61.92 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 113.77 1.026 . . . . 10.0 113.77 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.29 -26.49 63.83 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.371 1.442 . . . . 10.0 110.341 167.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -46.04 16.74 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.505 0.722 . . . . 10.0 112.302 169.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.06 -47.17 81.62 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.385 1.474 . . . . 10.0 112.014 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.88 -45.22 82.67 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.441 1.097 . . . . 10.0 109.845 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.77 68.39 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.23 1.412 . . . . 10.0 114.247 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -37.88 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.113 0.87 . . . . 10.0 111.066 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 m -68.91 -28.0 66.28 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 123.58 0.752 . . . . 10.0 111.305 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.677 -1.264 . . . . 10.0 111.126 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.62 90.94 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.669 -1.269 . . . . 10.0 109.553 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.57 -29.83 68.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.624 1.57 . . . . 10.0 113.228 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.73 -31.28 68.16 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.232 1.833 . . . . 10.0 109.225 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -76.28 -44.28 37.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.906 1.282 . . . . 10.0 111.494 169.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 -19.65 61.64 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.076 -1.015 . . . . 10.0 111.876 -175.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.97 -23.21 36.2 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 125.997 1.719 . . . . 10.0 110.411 169.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -51.57 8.5 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.683 2.393 . . . . 10.0 116.33 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -140.81 46.67 0.95 Allowed Pre-proline 0 N--CA 1.49 1.566 0 C-N-CA 127.298 2.239 . . . . 10.0 110.26 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.587 6.4 Cg_exo -14.66 -92.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.173 2 N-CA-C 123.943 4.555 . . . . 10.0 123.943 -165.43 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.4 p -74.34 9.23 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.645 1.111 . . . . 10.0 113.982 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -48.36 107.31 0.73 Allowed Pre-proline 0 C--N 1.347 0.491 0 N-CA-C 106.296 -1.742 . . . . 10.0 106.296 167.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.68 -24.61 41.06 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 N-CA-C 114.737 1.014 . . . . 10.0 114.737 -167.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.51 95.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.087 0.858 . . . . 10.0 112.076 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -43.63 19.82 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.56 78.03 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.627 1.103 . . . . 10.0 109.622 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.68 -27.65 55.63 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 120.747 -1.221 . . . . 10.0 111.973 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.6 -35.38 78.87 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.368 -0.832 . . . . 10.0 111.321 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.82 -54.79 37.34 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 124.057 0.943 . . . . 10.0 111.728 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -64.74 -26.57 68.42 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.667 0.746 . . . . 10.0 111.293 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -65.91 -48.04 72.76 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.411 1.085 . . . . 10.0 111.846 169.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -69.73 -36.99 76.35 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.024 0.929 . . . . 10.0 112.607 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.81 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 128.802 2.841 . . . . 10.0 109.304 168.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 m -72.58 -42.0 65.06 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -61.36 -35.1 76.51 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.183 0.901 . . . . 10.0 112.339 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -36.7 72.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.927 0.891 . . . . 10.0 109.779 175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -25.21 64.77 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 169.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.12 -41.3 64.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.257 2.223 . . . . 10.0 110.617 169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 22.9 t80 -54.55 -41.65 70.03 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 107.677 -1.231 . . . . 10.0 107.677 168.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.91 74.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.27 2.228 . . . . 10.0 114.158 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -65.58 -44.94 85.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.659 1.584 . . . . 10.0 110.489 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.74 99.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.381 1.872 . . . . 10.0 111.355 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.08 35.2 0.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 123.823 1.773 . . . . 10.0 113.836 169.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 t -144.32 9.37 1.42 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.243 3.417 . . . . 10.0 110.226 168.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -116.47 -50.86 2.62 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 127.714 2.406 . . . . 10.0 110.51 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -56.84 -35.66 69.09 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 10.0 114.147 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -57.12 -47.67 83.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 128.202 2.601 . . . . 10.0 111.073 171.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.73 7.11 3.29 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 129.084 2.953 . . . . 10.0 113.361 172.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -35.9 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 128.623 2.769 . . . . 10.0 111.286 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -66.34 -20.59 66.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 107.015 -1.476 . . . . 10.0 107.015 166.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -35.85 79.82 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.213 -1.554 . . . . 10.0 110.185 166.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.99 -34.44 64.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.366 1.466 . . . . 10.0 113.265 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -42.58 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 122.032 0.92 . . . . 10.0 111.115 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.92 -33.76 76.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 120.453 -1.404 . . . . 10.0 113.45 171.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.82 -6.79 13.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.992 1.317 . . . . 10.0 113.361 169.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.54 -32.88 9.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.07 2.148 . . . . 10.0 110.914 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.35 -34.58 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.044 0.938 . . . . 10.0 108.913 168.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.01 -35.1 32.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 128.571 2.748 . . . . 10.0 112.768 169.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -91.68 2.86 56.19 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.276 2.231 . . . . 10.0 113.182 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -119.08 -27.91 5.61 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.626 1.97 . . . . 10.0 112.731 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.0 136.39 52.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.786 2.034 . . . . 10.0 113.942 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -145.39 18.7 1.54 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.295 1.438 . . . . 10.0 112.22 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -90.7 15.43 11.1 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.1 1.36 . . . . 10.0 112.891 -175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -61.13 162.35 7.45 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.657 1.583 . . . . 10.0 113.731 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.21 1.804 . . . . 10.0 110.991 177.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.46 161.85 41.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 123.311 1.529 . . . . 10.0 113.235 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -78.14 156.94 78.98 Favored Pre-proline 0 N--CA 1.443 -0.808 0 CA-C-N 112.109 -2.314 . . . . 10.0 107.316 166.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.08 -22.63 48.32 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 N-CA-C 118.249 2.365 . . . . 10.0 118.249 -169.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -136.62 -27.26 1.05 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -62.33 -21.83 65.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.696 1.589 . . . . 10.0 114.319 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.51 -2.05 82.76 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.93 1.252 . . . . 10.0 115.263 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -144.08 8.12 1.42 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.517 1.527 . . . . 10.0 114.032 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -51.22 -44.47 61.64 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.507 1.923 . . . . 10.0 113.176 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -71.51 11.95 0.41 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -122.19 -46.79 2.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.573 1.949 . . . . 10.0 109.582 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.2 -43.73 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 125.91 1.684 . . . . 10.0 113.262 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 t -79.16 -38.84 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.827 0.851 . . . . 10.0 111.102 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.34 -22.95 64.65 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -173.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.518 1.127 . . . . 10.0 111.802 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -46.45 63.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.892 1.277 . . . . 10.0 111.153 170.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.41 -21.1 66.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.808 1.411 . . . . 10.0 114.808 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -98.84 -30.83 12.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.604 1.162 . . . . 10.0 113.539 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.89 83.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 120.974 -1.079 . . . . 10.0 112.382 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 57' ' ' TYR . 1.7 p -59.32 -39.33 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 C-N-CA 124.997 1.319 . . . . 10.0 112.065 170.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -70.37 -21.97 62.81 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.373 0.879 . . . . 10.0 113.373 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -69.61 -27.63 65.25 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.231 1.378 . . . . 10.0 111.374 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -44.6 19.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.498 0.719 . . . . 10.0 111.664 169.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -58.0 -46.98 84.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.218 1.407 . . . . 10.0 112.072 176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.51 -46.01 84.29 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.586 1.154 . . . . 10.0 109.843 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 14.4 mt-30 -58.95 -49.42 77.9 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.548 1.539 . . . . 10.0 114.826 174.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -66.95 -36.66 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 120.797 -1.189 . . . . 10.0 112.052 174.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -66.69 -27.52 67.72 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.08 0.552 . . . . 10.0 110.907 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.66 -28.7 40.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.015 -1.053 . . . . 10.0 111.583 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.62 97.31 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.553 -1.342 . . . . 10.0 108.993 167.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.25 -30.17 70.55 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.272 1.429 . . . . 10.0 112.911 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.43 -34.27 72.29 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 121.769 2.077 . . . . 10.0 109.374 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.6 -43.47 69.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.192 0.997 . . . . 10.0 111.144 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -20.25 60.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.316 1.055 . . . . 10.0 111.787 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -23.15 38.91 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 126.025 1.73 . . . . 10.0 109.928 169.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.63 5.41 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.117 2.567 . . . . 10.0 116.543 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -138.16 49.13 2.3 Favored Pre-proline 0 N--CA 1.491 1.596 0 C-N-CA 127.477 2.311 . . . . 10.0 109.847 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -16.89 -89.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.265 2 N-CA-C 123.88 4.531 . . . . 10.0 123.88 -165.501 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -76.33 10.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.52 107.58 0.81 Allowed Pre-proline 0 C--N 1.348 0.528 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 167.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.17 -24.06 44.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 N-CA-C 115.704 1.386 . . . . 10.0 115.704 -166.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.1 75.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.945 0.793 . . . . 10.0 112.397 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.05 -42.0 24.59 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.147 0.885 . . . . 10.0 112.792 170.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.96 93.04 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.673 -1.156 . . . . 10.0 108.995 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -19.84 59.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 121.828 2.104 . . . . 10.0 112.123 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.43 79.7 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.303 0.956 . . . . 10.0 109.436 167.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -61.85 -51.86 66.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 118.67 -0.681 . . . . 10.0 109.641 168.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -55.54 -31.47 62.14 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.248 1.019 . . . . 10.0 112.288 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 t -76.0 -48.79 19.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.908 1.283 . . . . 10.0 112.009 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 26.6 mmmt -66.47 -36.0 81.68 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.35 -40.78 36.76 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 128.738 2.815 . . . . 10.0 110.283 168.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -80.34 -38.61 30.21 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 114.984 1.475 . . . . 10.0 114.984 171.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.52 -30.68 68.76 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.591 1.541 . . . . 10.0 112.086 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -39.29 75.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.06 -1.025 . . . . 10.0 110.703 175.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.99 -24.22 60.74 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.453 -0.779 . . . . 10.0 112.492 169.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -35.59 67.05 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 126.043 1.737 . . . . 10.0 111.521 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.419 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 4.8 t80 -56.15 -43.42 78.25 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 168.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.26 96.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.565 2.346 . . . . 10.0 111.672 174.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.35 -44.8 86.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.437 1.495 . . . . 10.0 112.049 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.58 92.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.631 1.973 . . . . 10.0 110.579 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -77.01 25.74 0.15 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.488 1.915 . . . . 10.0 114.11 169.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -145.28 21.86 1.53 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.236 3.014 . . . . 10.0 110.173 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -131.59 -49.2 0.97 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.874 2.47 . . . . 10.0 110.315 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -51.0 -41.22 59.62 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.829 2.052 . . . . 10.0 113.209 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.405 HG22 ' H ' ' A' ' 65' ' ' VAL . 2.2 t -51.82 -25.92 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 131.028 3.731 . . . . 10.0 113.941 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -121.6 12.37 10.71 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.56 3.544 . . . . 10.0 111.618 -174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.46 -32.45 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 C-N-CA 130.299 3.44 . . . . 10.0 110.378 174.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -55.14 -34.64 63.93 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 107.876 -1.157 . . . . 10.0 107.876 167.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.38 -36.47 66.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.973 3.309 . . . . 10.0 113.221 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.51 -33.84 47.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.969 1.707 . . . . 10.0 113.122 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.03 -44.08 99.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 169.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.55 -34.24 77.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.54 1.136 . . . . 10.0 113.358 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.68 72.93 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.033 -1.042 . . . . 10.0 111.17 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.09 62.62 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.495 1.118 . . . . 10.0 112.832 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.48 -43.92 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.885 -1.134 . . . . 10.0 109.393 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.03 -44.03 78.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.896 1.679 . . . . 10.0 111.495 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.59 -36.32 83.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.505 1.522 . . . . 10.0 113.15 173.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -70.03 -36.84 75.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.698 1.599 . . . . 10.0 112.882 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.96 154.92 28.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.753 1.221 . . . . 10.0 112.406 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -54.81 132.38 46.03 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.608 0.763 . . . . 10.0 111.617 170.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -155.64 -45.64 0.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.458 1.103 . . . . 10.0 112.508 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -134.24 -17.43 2.08 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 10.0 113.613 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 127.006 2.122 . . . . 10.0 110.767 -176.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.333 0.111 . . . . 10.0 111.293 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.86 157.98 43.96 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 123.172 1.463 . . . . 10.0 112.918 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p -79.54 148.07 69.05 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 112.484 -2.143 . . . . 10.0 109.264 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.22 131.11 29.15 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 120.649 0.899 . . . . 10.0 113.39 -170.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -57.13 -32.11 66.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.749 1.219 . . . . 10.0 113.177 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -61.63 -21.35 64.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.404 1.482 . . . . 10.0 114.576 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.87 -5.19 68.62 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.273 1.416 . . . . 10.0 114.483 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.81 8.83 3.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.179 2.192 . . . . 10.0 113.028 -175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.23 -42.37 73.3 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.55 1.54 . . . . 10.0 113.061 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.38 7.75 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -117.51 -53.96 2.4 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.2 1.8 . . . . 10.0 108.51 168.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.93 -37.77 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 126.603 1.961 . . . . 10.0 113.315 -172.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -84.52 -43.3 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.57 0.748 . . . . 10.0 111.386 170.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.98 72.64 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -170.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -54.84 -10.41 0.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.573 3.549 . . . . 10.0 115.674 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -134.74 -23.07 1.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.356 2.262 . . . . 10.0 113.795 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -26.11 -69.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 129.243 3.017 . . . . 10.0 117.861 -168.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -72.41 -30.59 64.78 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -169.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.81 -39.98 12.86 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 121.582 -0.699 . . . . 10.0 111.491 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -40.48 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 118.723 -0.656 . . . . 10.0 110.173 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.69 -26.39 65.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -69.22 -25.49 64.34 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 120.18 1.355 . . . . 10.0 112.798 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -41.65 15.77 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.123 0.969 . . . . 10.0 112.856 170.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -59.28 -46.22 89.12 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 127.834 2.454 . . . . 10.0 111.334 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -56.22 -45.46 79.91 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.568 1.147 . . . . 10.0 109.542 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.3 -51.63 69.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 10.0 114.511 172.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -37.33 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.528 1.058 . . . . 10.0 110.939 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 m -69.7 -28.35 65.76 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 123.974 0.909 . . . . 10.0 111.343 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.85 -28.96 44.33 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 120.798 -1.189 . . . . 10.0 111.106 173.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.38 90.77 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.636 -1.29 . . . . 10.0 109.664 167.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.01 -30.23 68.57 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.919 1.687 . . . . 10.0 113.282 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.34 -30.36 66.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 121.105 1.775 . . . . 10.0 109.317 171.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -77.17 -44.42 30.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.909 1.284 . . . . 10.0 111.581 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.82 -20.26 61.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.944 -1.097 . . . . 10.0 111.643 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.51 40.25 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 125.595 1.558 . . . . 10.0 110.178 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -56.6 4.02 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.505 2.322 . . . . 10.0 115.893 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.52 70.91 59.8 Favored Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 126.679 1.992 . . . . 10.0 109.058 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.429 3.5 Cg_exo -37.38 -77.52 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.293 3.92 . . . . 10.0 122.293 -166.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -82.41 12.39 4.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.857 -1.152 . . . . 10.0 113.533 -171.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.2 108.87 1.22 Allowed Pre-proline 0 N--CA 1.47 0.547 0 N-CA-C 105.509 -2.034 . . . . 10.0 105.509 167.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.61 -23.6 36.51 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 CA-C-N 119.806 0.966 . . . . 10.0 114.487 -167.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.46 94.62 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 0.841 . . . . 10.0 112.044 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.52 -43.25 21.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.36 78.11 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.694 1.134 . . . . 10.0 109.964 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.42 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 119.834 1.197 . . . . 10.0 111.56 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.49 87.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.218 -0.926 . . . . 10.0 111.339 169.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -60.15 -55.11 37.83 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 124.049 0.94 . . . . 10.0 111.661 170.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.261 0.0 OUTLIER -66.42 -23.74 66.35 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.109 0.88 . . . . 10.0 111.209 -175.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t -66.41 -52.08 50.33 Favored 'General case' 0 N--CA 1.461 0.088 0 C-N-CA 125.19 1.396 . . . . 10.0 110.798 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.43 -37.37 85.03 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.838 1.255 . . . . 10.0 112.479 -177.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -36.46 61.99 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.663 3.185 . . . . 10.0 110.82 168.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.17 -42.11 24.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.304 0.853 . . . . 10.0 113.304 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -58.63 -34.52 71.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.202 0.91 . . . . 10.0 112.346 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -34.35 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.658 1.183 . . . . 10.0 111.022 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -25.71 59.89 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 121.71 -0.619 . . . . 10.0 112.551 169.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.0 -38.64 69.6 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.065 1.746 . . . . 10.0 111.273 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 17.4 t80 -55.46 -44.26 76.24 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 168.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -39.67 94.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.723 2.009 . . . . 10.0 112.684 175.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.65 -43.72 88.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.616 1.566 . . . . 10.0 111.233 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.02 99.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.075 1.75 . . . . 10.0 111.175 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.36 27.37 0.2 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 123.629 1.68 . . . . 10.0 113.404 169.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -144.87 23.22 1.56 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 129.535 3.134 . . . . 10.0 109.704 168.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -130.35 -49.58 1.09 Allowed 'General case' 0 C--N 1.343 0.298 0 C-N-CA 127.699 2.4 . . . . 10.0 110.793 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 t -51.06 -40.74 59.04 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.404 1.881 . . . . 10.0 113.825 169.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.51 -28.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 130.724 3.609 . . . . 10.0 113.477 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -115.75 13.18 16.12 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 130.263 3.425 . . . . 10.0 111.549 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 t -117.28 -35.17 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 C-N-CA 129.839 3.255 . . . . 10.0 110.434 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -64.49 -22.41 66.95 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.566 -1.272 . . . . 10.0 107.566 166.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -59.64 -37.85 79.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.811 1.644 . . . . 10.0 110.09 167.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -32.87 49.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.105 1.762 . . . . 10.0 112.809 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -42.87 92.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.94 0.876 . . . . 10.0 110.41 169.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.96 -34.42 78.38 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.499 -1.376 . . . . 10.0 113.521 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -19.92 65.88 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.294 -0.879 . . . . 10.0 112.286 169.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.86 -35.92 25.86 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.635 1.174 . . . . 10.0 111.346 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.1 -39.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.386 1.074 . . . . 10.0 110.05 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.31 -43.57 71.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.629 2.372 . . . . 10.0 112.263 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.27 -46.85 59.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.955 1.302 . . . . 10.0 111.758 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -54.87 -33.1 61.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.824 1.25 . . . . 10.0 113.436 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -51.7 -27.88 13.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.783 1.633 . . . . 10.0 114.821 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -103.04 3.1 35.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -143.35 18.84 1.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -58.82 -30.69 67.83 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.4 1.48 . . . . 10.0 113.871 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.5 m80 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.865 2.066 . . . . 10.0 111.182 175.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 118.981 -0.533 . . . . 10.0 110.354 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.87 162.95 37.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 123.205 1.479 . . . . 10.0 113.665 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -85.95 164.94 37.1 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 112.212 -2.267 . . . . 10.0 106.252 166.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.28 -10.58 8.75 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 121.664 1.576 . . . . 10.0 116.063 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -118.53 -26.33 6.22 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 116.131 1.901 . . . . 10.0 116.131 172.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -69.78 -23.7 63.39 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 122.065 2.212 . . . . 10.0 114.041 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 -4.28 74.37 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.791 1.186 . . . . 10.0 114.859 177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -141.33 13.3 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.531 2.333 . . . . 10.0 112.279 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -41.75 -55.97 2.82 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 127.761 2.424 . . . . 10.0 115.948 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.31 5.07 6.06 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -170.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.69 -31.73 4.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.417 1.487 . . . . 10.0 112.241 169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.16 -65.54 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 125.236 1.414 . . . . 10.0 110.723 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -59.69 -34.69 73.2 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.729 1.212 . . . . 10.0 112.441 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.65 76.74 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.224 0.824 . . . . 10.0 113.224 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -14.93 33.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.97 2.108 . . . . 10.0 114.087 173.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -123.67 6.07 8.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.003 2.521 . . . . 10.0 114.073 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.34 -16.31 8.57 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 116.629 2.085 . . . . 10.0 116.629 -168.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -104.09 -20.2 13.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.11 1.364 . . . . 10.0 114.592 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.76 -40.4 6.3 Favored Glycine 0 N--CA 1.476 1.322 0 O-C-N 121.278 -0.888 . . . . 10.0 111.282 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -56.18 -36.28 45.17 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 C-N-CA 124.383 1.073 . . . . 10.0 110.912 168.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.46 -20.18 64.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.364 1.065 . . . . 10.0 113.66 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.3 -27.63 64.54 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 120.213 1.37 . . . . 10.0 111.288 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -45.76 16.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.618 0.767 . . . . 10.0 112.117 169.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -57.19 -45.06 84.08 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.486 1.515 . . . . 10.0 112.003 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -58.26 -45.21 88.26 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.253 1.021 . . . . 10.0 110.07 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.37 -52.38 65.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.138 1.375 . . . . 10.0 113.833 172.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -37.67 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 119.29 0.95 . . . . 10.0 111.307 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.8 m -69.14 -28.15 66.19 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.49 0.716 . . . . 10.0 111.31 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.98 -28.73 43.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.803 -1.185 . . . . 10.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.94 91.58 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.734 -1.229 . . . . 10.0 109.515 167.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.42 -30.13 68.96 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.647 1.579 . . . . 10.0 113.243 169.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -31.17 67.86 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.2 1.818 . . . . 10.0 109.203 171.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -76.12 -44.12 40.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.755 1.222 . . . . 10.0 111.504 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.31 -20.4 60.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.958 -1.089 . . . . 10.0 111.748 -174.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.47 40.55 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.678 1.591 . . . . 10.0 110.028 169.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -56.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.54 2.336 . . . . 10.0 115.984 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.28 69.02 62.41 Favored Pre-proline 0 N--CA 1.485 1.294 0 C-N-CA 126.819 2.047 . . . . 10.0 109.407 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.44 5.0 Cg_exo -36.09 -78.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.454 0 N-CA-C 122.403 3.963 . . . . 10.0 122.403 -166.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.4 p -82.1 12.17 4.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 119.882 1.219 . . . . 10.0 113.431 -170.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.93 108.66 1.15 Allowed Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 167.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.58 -23.61 36.66 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 CA-C-N 119.826 0.974 . . . . 10.0 114.363 -167.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.28 94.82 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.144 0.884 . . . . 10.0 112.067 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.49 -43.78 20.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 170.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.54 78.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.721 1.146 . . . . 10.0 109.897 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.42 53.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.72 1.145 . . . . 10.0 111.712 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.79 81.77 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.392 -0.818 . . . . 10.0 111.124 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -60.56 -54.85 40.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 121.211 -0.93 . . . . 10.0 111.596 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -65.92 -25.4 67.12 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 124.075 0.859 . . . . 10.0 110.809 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -66.17 -48.69 69.92 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.744 1.218 . . . . 10.0 111.62 169.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -68.47 -36.52 79.09 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.726 1.21 . . . . 10.0 112.581 -178.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -39.15 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.184 2.994 . . . . 10.0 110.079 168.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -76.29 -39.32 54.53 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 169.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.28 -35.01 76.13 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.266 1.393 . . . . 10.0 112.253 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -38.41 74.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.209 1.004 . . . . 10.0 109.891 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -65.63 -28.25 68.98 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.286 1.034 . . . . 10.0 112.391 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -73.69 -40.01 63.95 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 127.547 2.339 . . . . 10.0 111.715 169.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.9 t80 -55.08 -45.24 75.39 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -37.42 87.19 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.04 2.536 . . . . 10.0 112.81 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.24 -43.83 77.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.677 1.591 . . . . 10.0 110.965 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.25 97.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.189 1.795 . . . . 10.0 110.695 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.52 25.49 0.25 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.97 2.108 . . . . 10.0 113.307 168.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.35 24.39 1.27 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.977 2.911 . . . . 10.0 108.94 168.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -126.1 -52.29 1.53 Allowed 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 127.973 2.509 . . . . 10.0 110.117 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -49.93 -43.04 49.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.716 2.006 . . . . 10.0 114.374 169.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.0 t -54.72 -30.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 130.037 3.335 . . . . 10.0 113.115 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -106.79 14.54 26.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.115 3.366 . . . . 10.0 112.437 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -116.88 -36.23 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 128.726 2.81 . . . . 10.0 110.91 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -61.72 -31.02 71.15 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 107.448 -1.316 . . . . 10.0 107.448 166.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.41 -26.97 65.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 128.32 2.648 . . . . 10.0 112.408 167.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.48 -32.84 54.54 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.484 1.514 . . . . 10.0 113.423 174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.14 -44.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-O 122.269 1.033 . . . . 10.0 109.271 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.85 -31.12 71.52 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.817 1.247 . . . . 10.0 113.2 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.37 68.87 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.565 -1.335 . . . . 10.0 110.982 169.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.45 80.13 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.617 -1.302 . . . . 10.0 111.361 169.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.7 -40.2 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.003 1.321 . . . . 10.0 110.628 171.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.01 97.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.879 1.671 . . . . 10.0 111.713 173.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.9 -37.09 83.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.396 -0.815 . . . . 10.0 112.368 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.39 -21.87 64.67 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.683 1.193 . . . . 10.0 113.595 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -74.09 -11.79 60.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.738 1.615 . . . . 10.0 113.92 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -57.21 143.43 39.23 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.881 -1.137 . . . . 10.0 113.225 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -135.58 138.95 43.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.449 1.899 . . . . 10.0 109.058 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -65.43 133.47 51.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.265 0.626 . . . . 10.0 112.119 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.675 1.59 . . . . 10.0 111.602 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 ttm . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 110.516 -0.179 . . . . 10.0 110.516 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.99 161.72 40.79 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 123.481 1.61 . . . . 10.0 114.418 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 p -91.11 155.85 44.43 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 111.884 -2.416 . . . . 10.0 108.553 167.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -65.21 100.74 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.898 1.732 . . . . 10.0 112.522 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p90 -55.65 -46.07 77.55 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.285 1.834 . . . . 10.0 114.775 -169.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -63.94 -5.78 5.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.02 21.58 5.52 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.067 1.794 . . . . 10.0 114.199 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -149.91 -35.4 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.411 1.484 . . . . 10.0 114.255 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.26 -36.21 63.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.217 2.207 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.65 -32.06 64.98 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.322 1.23 . . . . 10.0 114.322 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.42 -36.22 20.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.11 -54.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.109 1.763 . . . . 10.0 111.584 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -65.91 -34.17 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.863 1.265 . . . . 10.0 112.017 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.07 67.22 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -58.7 -37.34 75.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 10.0 112.109 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.17 -52.18 44.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.668 1.187 . . . . 10.0 109.013 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.3 -27.34 68.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.412 1.634 . . . . 10.0 115.412 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -93.65 -31.24 14.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.174 0.989 . . . . 10.0 113.554 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -40.66 34.86 Favored Glycine 0 N--CA 1.469 0.887 0 O-C-N 121.18 -0.95 . . . . 10.0 111.96 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -40.25 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.012 0 C-N-CA 123.88 0.872 . . . . 10.0 111.269 169.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.27 -24.34 65.78 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 113.552 0.945 . . . . 10.0 113.552 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -69.81 -28.35 65.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.04 1.291 . . . . 10.0 112.657 169.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -45.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.418 0.687 . . . . 10.0 112.504 169.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -54.6 -47.31 73.54 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.874 2.07 . . . . 10.0 111.594 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -58.36 -45.41 88.26 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.268 1.027 . . . . 10.0 109.984 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.48 -52.25 66.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.278 1.431 . . . . 10.0 114.236 171.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -37.23 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.563 1.074 . . . . 10.0 111.303 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.64 -28.2 65.7 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.739 0.816 . . . . 10.0 111.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -28.76 49.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 120.872 -1.142 . . . . 10.0 111.219 174.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.0 90.36 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.61 -1.306 . . . . 10.0 109.777 167.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.08 -29.95 69.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.591 1.556 . . . . 10.0 113.32 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.97 -30.08 67.66 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.043 1.747 . . . . 10.0 109.314 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -77.6 -44.46 28.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.238 1.415 . . . . 10.0 111.423 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -19.77 61.71 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 120.972 -1.08 . . . . 10.0 111.796 -175.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.43 36.66 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.961 1.705 . . . . 10.0 110.469 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -51.35 8.69 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.604 2.361 . . . . 10.0 116.1 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -141.42 48.18 1.17 Allowed Pre-proline 0 N--CA 1.49 1.526 0 C-N-CA 127.236 2.214 . . . . 10.0 110.058 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.575 6.8 Cg_exo -16.44 -90.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 2 N-CA-C 123.942 4.555 . . . . 10.0 123.942 -165.402 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -75.5 10.13 1.84 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.687 1.131 . . . . 10.0 113.931 -169.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.31 108.02 0.89 Allowed Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 167.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.31 -24.62 37.19 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 N-CA-C 114.679 0.992 . . . . 10.0 114.679 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.72 95.79 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.084 0.856 . . . . 10.0 112.048 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -43.86 19.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 170.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -34.85 78.89 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 109.74 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.91 54.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.811 -1.18 . . . . 10.0 111.974 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.14 80.59 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.504 -0.747 . . . . 10.0 111.129 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -59.9 -54.57 44.56 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.044 0.938 . . . . 10.0 111.627 170.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.76 -24.01 66.85 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.731 0.777 . . . . 10.0 111.334 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.5 t -66.35 -50.96 61.8 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.591 1.157 . . . . 10.0 111.298 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -67.78 -36.38 80.37 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.914 1.286 . . . . 10.0 112.688 -178.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -38.76 66.61 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 129.048 2.939 . . . . 10.0 110.09 168.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -76.07 -42.61 46.94 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.43 -34.52 72.6 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.169 0.895 . . . . 10.0 112.487 175.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -36.34 74.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.849 0.86 . . . . 10.0 110.279 176.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -24.57 63.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 169.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.05 -41.64 63.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.74 2.016 . . . . 10.0 110.808 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.7 t80 -53.71 -42.01 67.59 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 168.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -33.89 73.07 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 127.017 2.127 . . . . 10.0 114.016 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.29 -46.14 81.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.962 1.305 . . . . 10.0 110.05 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.8 86.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.218 1.807 . . . . 10.0 111.807 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -84.23 40.93 0.8 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 124.179 1.942 . . . . 10.0 113.978 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 t -140.15 -41.2 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 130.411 3.485 . . . . 10.0 107.697 168.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.29 -50.62 72.95 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.801 1.64 . . . . 10.0 113.46 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -62.72 -37.91 88.38 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.283 2.233 . . . . 10.0 115.378 176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 127.586 2.355 . . . . 10.0 109.613 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -70.86 4.81 2.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.29 3.036 . . . . 10.0 114.035 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 69' ' ' LYS . 6.8 t -114.58 -35.15 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.539 2.736 . . . . 10.0 110.838 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.08 15.39 1.15 Allowed 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 122.595 1.188 . . . . 10.0 109.146 166.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 67' ' ' VAL . 11.3 tmtt? -111.74 -29.96 7.5 Favored 'General case' 0 C--O 1.22 -0.467 1 C-N-CA 134.241 5.016 . . . . 10.0 109.734 169.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 -33.49 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.637 1.108 . . . . 10.0 111.512 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -24.66 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 126.181 1.793 . . . . 10.0 114.296 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -103.56 -28.21 11.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.764 2.426 . . . . 10.0 111.599 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.08 -32.64 72.29 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.671 1.188 . . . . 10.0 109.261 167.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.25 -28.32 69.94 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.689 1.995 . . . . 10.0 112.873 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -83.09 -35.06 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 126.397 1.879 . . . . 10.0 110.775 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.71 -38.87 86.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.299 1.44 . . . . 10.0 110.458 169.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.8 0.38 1.79 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 126.44 1.896 . . . . 10.0 113.223 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -129.27 9.55 5.66 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 127.988 2.515 . . . . 10.0 112.566 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.25 0.52 0.63 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 117.614 2.449 . . . . 10.0 117.614 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -63.01 -12.42 25.81 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 116.72 2.118 . . . . 10.0 116.72 -169.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -65.89 160.25 23.75 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.441 1.019 . . . . 10.0 112.694 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.57 150.09 37.12 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.219 1.007 . . . . 10.0 112.995 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.961 1.704 . . . . 10.0 111.385 177.361 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.486 1.371 0 N-CA-C 110.477 -0.194 . . . . 10.0 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.46 158.88 43.23 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 123.275 1.512 . . . . 10.0 112.949 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -79.57 149.69 71.95 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 112.244 -2.253 . . . . 10.0 108.573 167.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.61 152.96 70.31 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 C-N-CA 120.817 1.011 . . . . 10.0 113.767 -174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -51.1 -39.99 57.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.769 1.227 . . . . 10.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -64.02 -14.9 57.68 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.776 1.398 . . . . 10.0 114.776 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 3.12 58.49 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.997 1.76 . . . . 10.0 114.503 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -135.44 -13.01 2.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.646 1.978 . . . . 10.0 113.118 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.5 tp -48.68 -46.02 39.75 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.253 2.221 . . . . 10.0 113.187 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -75.56 21.16 0.15 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.923 1.289 . . . . 10.0 114.11 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -131.21 -40.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.894 2.077 . . . . 10.0 110.266 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.09 -50.84 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.711 1.604 . . . . 10.0 112.799 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -78.98 -38.27 37.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 124.854 1.262 . . . . 10.0 111.335 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.35 65.24 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -50.92 -38.23 48.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.918 0.887 . . . . 10.0 111.427 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -58.79 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.863 1.265 . . . . 10.0 111.185 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.23 -22.6 66.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -169.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.28 -32.51 11.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.394 1.078 . . . . 10.0 112.916 171.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.79 -43.47 93.96 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 121.046 -1.034 . . . . 10.0 111.962 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 ' CD2' ' A' ' 57' ' ' TYR . 1.3 p -58.68 -42.09 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 C-N-CA 124.636 1.174 . . . . 10.0 111.712 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -25.63 61.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.379 0.881 . . . . 10.0 113.379 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -67.75 -26.66 66.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 120.378 1.445 . . . . 10.0 110.816 168.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -46.08 16.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 170.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -56.22 -47.25 78.79 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.506 1.923 . . . . 10.0 111.905 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -58.66 -45.02 90.26 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.647 1.179 . . . . 10.0 109.939 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.56 -52.1 66.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.986 1.314 . . . . 10.0 113.816 172.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.1 -38.25 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 119.144 0.884 . . . . 10.0 110.977 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -68.17 -27.33 66.32 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.472 0.709 . . . . 10.0 111.216 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.65 -29.21 40.86 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.003 -1.06 . . . . 10.0 111.328 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.95 95.29 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.649 -1.282 . . . . 10.0 109.179 167.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.16 -29.57 68.48 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.449 1.5 . . . . 10.0 113.3 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.09 -32.43 69.81 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.488 1.949 . . . . 10.0 109.145 171.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -74.0 -44.6 54.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.467 1.107 . . . . 10.0 111.263 169.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.37 -19.77 61.57 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.038 -1.039 . . . . 10.0 111.878 -174.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.62 -23.2 37.17 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.762 1.625 . . . . 10.0 110.344 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.88 8.12 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.792 2.437 . . . . 10.0 116.244 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.93 48.32 1.28 Allowed Pre-proline 0 N--CA 1.49 1.56 0 C-N-CA 127.151 2.18 . . . . 10.0 110.007 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.9 Cg_exo -15.89 -90.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 2 N-CA-C 123.934 4.552 . . . . 10.0 123.934 -165.56 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.59 10.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.726 1.148 . . . . 10.0 113.937 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.8 107.59 0.79 Allowed Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.09 -23.49 46.03 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 115.819 1.431 . . . . 10.0 115.819 -166.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.98 75.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.895 0.771 . . . . 10.0 112.293 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.14 -41.97 24.39 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.032 0.833 . . . . 10.0 112.978 170.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.91 94.76 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 117.755 -1.117 . . . . 10.0 108.616 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.55 -19.83 60.79 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.173 2.26 . . . . 10.0 112.45 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.55 78.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.241 0.928 . . . . 10.0 109.868 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.99 -51.51 68.95 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 121.371 -0.831 . . . . 10.0 109.747 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -55.12 -32.05 61.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.388 1.075 . . . . 10.0 112.276 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.23 -47.25 36.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.298 1.039 . . . . 10.0 112.544 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 124.099 0.959 . . . . 10.0 112.028 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.61 -42.0 67.26 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 129.063 2.945 . . . . 10.0 109.596 168.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.4 m -73.03 -43.94 61.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.899 0.88 . . . . 10.0 112.916 172.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.06 -33.45 73.34 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.328 0.967 . . . . 10.0 112.578 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -36.03 75.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.997 -1.064 . . . . 10.0 109.779 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.96 -25.68 64.67 Favored 'General case' 0 CA--C 1.554 1.118 0 O-C-N 121.792 -0.568 . . . . 10.0 112.087 169.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.02 -40.51 68.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.256 1.822 . . . . 10.0 110.678 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 20.4 t80 -54.78 -40.46 69.45 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.66 73.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.487 2.315 . . . . 10.0 114.101 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -65.72 -42.68 90.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.529 1.531 . . . . 10.0 110.75 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -64.55 -43.11 94.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.379 1.471 . . . . 10.0 111.144 169.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.48 41.58 0.63 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 124.237 1.97 . . . . 10.0 114.091 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 60' ' ' ALA . 44.1 t -141.09 -41.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 130.636 3.574 . . . . 10.0 107.743 168.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.77 -45.81 92.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.931 1.692 . . . . 10.0 114.609 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -68.77 -36.31 78.15 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.817 2.047 . . . . 10.0 115.274 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.77 -45.69 94.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 127.341 2.256 . . . . 10.0 109.421 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -68.78 3.73 1.79 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.001 2.92 . . . . 10.0 114.265 169.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 t -116.31 -35.8 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 128.841 2.856 . . . . 10.0 111.619 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -65.29 -21.65 66.74 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.825 -1.546 . . . . 10.0 106.825 166.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -35.87 77.81 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.135 1.774 . . . . 10.0 110.583 167.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -75.38 -33.88 61.07 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.548 1.539 . . . . 10.0 113.518 173.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.9 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 122.34 1.067 . . . . 10.0 111.278 169.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.76 -33.05 75.06 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.22 -1.55 . . . . 10.0 113.213 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.08 -8.06 14.84 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.838 1.255 . . . . 10.0 113.265 169.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.37 -33.99 9.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.081 2.153 . . . . 10.0 111.385 169.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.64 -34.32 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.153 0.981 . . . . 10.0 109.676 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.62 -44.67 18.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.722 2.809 . . . . 10.0 111.892 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -82.41 5.41 20.51 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.167 2.187 . . . . 10.0 114.017 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -129.59 -31.89 1.97 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.451 1.5 . . . . 10.0 114.42 -169.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -54.89 -19.95 7.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 118.402 2.742 . . . . 10.0 118.402 -169.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -142.48 -32.12 0.5 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 -173.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -103.91 -0.83 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -143.04 13.12 1.84 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.452 1.101 . . . . 10.0 113.47 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.112 1.765 . . . . 10.0 111.527 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 110.331 -0.248 . . . . 10.0 110.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.22 157.13 29.71 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 123.282 1.515 . . . . 10.0 114.056 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 16.1 p -84.47 149.18 54.17 Favored Pre-proline 0 N--CA 1.446 -0.633 0 CA-C-N 112.523 -2.126 . . . . 10.0 109.071 168.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 26.1 Cg_exo -61.78 135.5 56.48 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 120.611 0.874 . . . . 10.0 114.241 -169.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.76 -3.28 14.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.481 1.512 . . . . 10.0 114.382 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -50.16 -22.93 1.88 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.896 2.184 . . . . 10.0 116.896 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.1 -1.43 90.33 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 124.891 1.234 . . . . 10.0 115.393 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.89 -31.15 0.56 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.749 2.02 . . . . 10.0 113.52 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.2 tp -42.52 -48.83 5.38 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 128.699 2.8 . . . . 10.0 113.683 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.25 14.2 0.47 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.19 1.396 . . . . 10.0 114.313 -170.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -139.34 6.88 2.35 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.416 1.486 . . . . 10.0 113.037 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -116.36 -56.25 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 127.094 2.158 . . . . 10.0 110.086 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.9 t -72.02 -44.61 63.13 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.255 1.422 . . . . 10.0 111.828 171.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.05 70.46 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.138 -0.976 . . . . 10.0 112.764 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -63.81 -18.92 64.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.823 2.049 . . . . 10.0 113.214 169.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.95 -23.32 13.36 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.618 1.967 . . . . 10.0 114.766 175.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -40.48 -46.13 2.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 118.42 2.748 . . . . 10.0 118.42 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -86.72 -31.42 20.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.53 0.937 . . . . 10.0 113.53 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.4 -41.11 21.7 Favored Glycine 0 N--CA 1.468 0.831 0 O-C-N 121.329 -0.857 . . . . 10.0 111.375 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -39.77 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 C-N-CA 124.178 0.991 . . . . 10.0 110.567 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.88 -25.8 62.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.758 1.022 . . . . 10.0 113.758 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.42 -27.2 65.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 120.25 1.386 . . . . 10.0 112.029 169.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.9 -43.86 19.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.789 0.836 . . . . 10.0 112.755 169.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -58.32 -46.6 85.87 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 126.799 2.04 . . . . 10.0 111.615 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.74 -46.39 81.4 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.624 1.17 . . . . 10.0 109.596 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -57.53 -51.74 68.24 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.175 1.39 . . . . 10.0 114.52 172.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.06 -38.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 119.511 1.05 . . . . 10.0 111.132 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 m -67.57 -27.76 67.21 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.545 0.738 . . . . 10.0 111.035 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.47 -28.0 46.4 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.846 -1.159 . . . . 10.0 111.392 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.72 89.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.46 -1.4 . . . . 10.0 109.27 167.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.24 -29.89 69.65 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.42 1.488 . . . . 10.0 113.387 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.83 -31.68 68.7 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.19 1.813 . . . . 10.0 109.277 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -75.74 -44.19 42.99 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.947 1.299 . . . . 10.0 111.25 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -20.04 61.47 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 122.285 1.041 . . . . 10.0 111.795 -175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.88 -23.09 39.26 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.829 1.652 . . . . 10.0 110.445 169.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.03 -53.27 6.56 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.827 2.451 . . . . 10.0 116.322 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -139.75 49.31 1.89 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 127.442 2.297 . . . . 10.0 109.565 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -17.14 -90.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 2 N-CA-C 123.813 4.505 . . . . 10.0 123.813 -165.61 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.1 p -75.99 10.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.608 1.094 . . . . 10.0 113.763 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -49.07 106.5 0.63 Allowed Pre-proline 0 C--N 1.348 0.526 0 N-CA-C 106.012 -1.847 . . . . 10.0 106.012 167.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -65.79 -24.17 54.7 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 N-CA-C 115.975 1.49 . . . . 10.0 115.975 -166.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.19 -40.13 78.27 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.87 0.759 . . . . 10.0 112.555 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.26 -42.37 23.3 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 10.0 113.019 170.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -44.25 96.68 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 117.732 -1.128 . . . . 10.0 108.589 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.64 -19.81 60.75 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 122.217 2.281 . . . . 10.0 112.585 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.57 76.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.315 0.962 . . . . 10.0 109.776 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.92 -51.94 66.08 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.631 0.772 . . . . 10.0 109.506 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -54.31 -31.34 53.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.533 1.133 . . . . 10.0 112.43 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.5 -50.01 19.87 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.245 1.018 . . . . 10.0 112.563 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.47 -34.73 77.77 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.915 0.886 . . . . 10.0 112.099 -179.092 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -41.51 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 129.036 2.934 . . . . 10.0 110.072 168.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 m -74.68 -42.87 57.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -59.85 -35.42 74.72 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.184 0.902 . . . . 10.0 112.592 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -35.83 77.34 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.246 1.018 . . . . 10.0 110.431 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -72.23 -24.49 61.39 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.55 -40.82 66.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.587 1.955 . . . . 10.0 111.257 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 2.6 t80 -53.67 -41.3 66.72 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 168.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -33.49 71.25 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 127.651 2.38 . . . . 10.0 114.426 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -65.72 -44.12 87.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.415 1.486 . . . . 10.0 110.096 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.46 86.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.995 1.718 . . . . 10.0 111.579 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -82.51 38.72 0.57 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.742 1.734 . . . . 10.0 114.071 169.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.2 t -139.32 -36.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 130.314 3.446 . . . . 10.0 108.537 168.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.87 -53.06 60.97 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.542 1.537 . . . . 10.0 113.378 173.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -59.82 -36.8 77.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.854 2.062 . . . . 10.0 114.896 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.62 -47.82 91.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 127.656 2.382 . . . . 10.0 109.783 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -69.47 5.12 1.46 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 128.046 2.538 . . . . 10.0 114.038 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.64 -35.97 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 128.429 2.691 . . . . 10.0 111.526 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -66.92 -24.37 66.08 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 106.79 -1.559 . . . . 10.0 106.79 166.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -59.29 -36.56 75.8 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.319 -1.488 . . . . 10.0 109.794 166.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.81 -29.54 56.02 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.965 1.706 . . . . 10.0 113.134 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -45.37 74.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 123.147 0.579 . . . . 10.0 110.184 169.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.51 -30.61 70.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.728 1.611 . . . . 10.0 113.564 171.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.48 68.69 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 120.6 -1.312 . . . . 10.0 111.471 169.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -37.64 66.38 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.099 1.36 . . . . 10.0 112.193 169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.65 -40.72 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.46 . . . . 10.0 110.585 170.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.25 -47.55 75.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.825 1.65 . . . . 10.0 111.383 173.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.8 4.82 1.01 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.02 1.728 . . . . 10.0 114.76 171.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -126.77 -1.34 6.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.002 2.121 . . . . 10.0 112.727 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -143.73 52.39 1.32 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.395 1.078 . . . . 10.0 112.768 -169.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -72.17 50.53 0.22 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.941 1.696 . . . . 10.0 113.399 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -69.73 -6.77 34.07 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.631 1.715 . . . . 10.0 115.631 -172.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -62.13 148.54 44.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.744 1.218 . . . . 10.0 113.309 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.501 1.921 . . . . 10.0 111.304 177.194 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.27 161.67 41.07 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.379 1.561 . . . . 10.0 114.463 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 p -87.55 154.22 53.51 Favored Pre-proline 0 N--CA 1.448 -0.555 0 CA-C-N 111.987 -2.37 . . . . 10.0 108.342 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.16 103.28 0.2 Allowed 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 121.576 1.517 . . . . 10.0 116.017 -169.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -72.72 -6.98 48.24 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.31 2.244 . . . . 10.0 114.263 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -56.68 -20.86 23.82 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.61 1.707 . . . . 10.0 115.61 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.53 0.5 68.08 Favored Glycine 0 CA--C 1.542 1.739 0 C-N-CA 125.127 1.346 . . . . 10.0 115.259 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -138.88 -12.74 1.26 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.242 2.217 . . . . 10.0 114.212 -169.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.84 -53.13 27.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.555 2.342 . . . . 10.0 114.604 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.48 16.49 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -169.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -130.89 -35.75 1.4 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.961 1.704 . . . . 10.0 111.823 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.83 -50.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 126.391 1.876 . . . . 10.0 112.4 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -78.88 -39.08 36.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 125.477 1.511 . . . . 10.0 111.952 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -29.93 71.11 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.133 -0.979 . . . . 10.0 112.836 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.65 -16.83 52.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.895 2.478 . . . . 10.0 113.697 169.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -22.93 9.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.144 2.178 . . . . 10.0 114.5 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -38.66 -62.17 0.64 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.826 2.45 . . . . 10.0 116.874 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -72.83 -28.27 62.44 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.308 -0.87 . . . . 10.0 113.153 -169.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.98 -41.26 7.66 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 123.751 0.691 . . . . 10.0 111.773 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -40.12 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.806 0 C-N-CA 123.31 0.644 . . . . 10.0 110.37 169.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.48 -28.24 69.07 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.445 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.83 -24.86 63.52 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.452 1.478 . . . . 10.0 113.634 169.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -47.22 8.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 113.103 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -54.44 -46.8 73.34 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 126.788 2.035 . . . . 10.0 111.82 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -53.95 -45.29 71.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.886 1.675 . . . . 10.0 110.078 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -60.58 -52.51 64.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.516 1.526 . . . . 10.0 114.639 173.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -36.8 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 119.56 1.073 . . . . 10.0 111.004 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -71.2 -28.02 63.92 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.372 1.069 . . . . 10.0 111.162 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.77 -29.24 44.97 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 121.005 -1.059 . . . . 10.0 111.006 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.77 92.18 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.645 -1.285 . . . . 10.0 109.644 167.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.08 -29.95 68.16 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.863 1.665 . . . . 10.0 113.19 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.47 -31.7 68.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.362 1.892 . . . . 10.0 109.104 171.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.51 -44.48 43.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.632 1.173 . . . . 10.0 111.55 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -20.09 61.01 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.934 -1.104 . . . . 10.0 111.687 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 -23.92 39.52 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.717 1.607 . . . . 10.0 110.06 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -55.74 4.6 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.437 2.295 . . . . 10.0 115.933 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.85 68.33 57.98 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 126.766 2.027 . . . . 10.0 109.484 178.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.445 4.2 Cg_exo -35.09 -79.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.489 3.996 . . . . 10.0 122.489 -166.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -82.0 12.45 4.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.876 1.216 . . . . 10.0 113.423 -170.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -52.82 108.87 1.2 Allowed Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 105.588 -2.004 . . . . 10.0 105.588 167.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.48 -23.76 37.08 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 CA-C-N 119.804 0.966 . . . . 10.0 114.479 -167.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.62 95.29 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.012 0.824 . . . . 10.0 112.081 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -80.51 -43.53 20.63 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.087 1.143 . . . . 10.0 114.087 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.3 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.627 1.103 . . . . 10.0 109.923 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.05 -28.05 54.6 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 119.89 1.223 . . . . 10.0 111.83 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.14 81.72 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.391 -0.818 . . . . 10.0 111.333 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.72 -55.33 34.5 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 123.843 0.857 . . . . 10.0 111.497 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -66.18 -24.2 66.59 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.864 0.84 . . . . 10.0 111.287 -175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -67.1 -50.99 59.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.913 1.285 . . . . 10.0 111.378 169.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.2 -36.53 81.93 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.464 1.106 . . . . 10.0 112.586 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -36.74 63.51 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.487 3.115 . . . . 10.0 110.577 168.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -78.13 -42.92 30.33 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 10.0 112.873 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.01 -32.74 69.98 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.099 0.863 . . . . 10.0 112.615 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.477 1.111 . . . . 10.0 111.21 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.2 -26.59 61.21 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.777 -0.577 . . . . 10.0 111.115 168.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.45 -37.16 71.42 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.78 1.632 . . . . 10.0 111.422 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.2 t80 -54.87 -43.88 73.53 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 107.854 -1.165 . . . . 10.0 107.854 168.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -40.3 95.1 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.827 2.451 . . . . 10.0 112.896 175.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.83 -46.02 76.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.519 1.528 . . . . 10.0 111.6 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.9 89.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.812 1.645 . . . . 10.0 111.183 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -78.66 30.97 0.19 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.296 1.838 . . . . 10.0 114.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.1 t -143.43 13.63 1.78 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.584 3.153 . . . . 10.0 110.577 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -125.01 -48.18 1.76 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.11 2.564 . . . . 10.0 111.183 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 t -56.53 -33.88 66.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 123.889 1.804 . . . . 10.0 113.576 168.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.1 -37.61 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 129.251 3.02 . . . . 10.0 112.033 171.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -91.61 9.27 32.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.303 3.041 . . . . 10.0 112.912 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.7 t -117.08 -35.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 128.897 2.879 . . . . 10.0 111.37 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.47 -21.38 66.65 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.647 -1.242 . . . . 10.0 107.647 166.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -59.24 -38.08 79.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.124 1.77 . . . . 10.0 110.01 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -30.33 40.87 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.585 1.954 . . . . 10.0 112.852 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -44.33 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-O 121.444 0.64 . . . . 10.0 109.934 169.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.21 -32.75 72.52 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.386 -1.446 . . . . 10.0 113.226 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.38 -24.41 67.36 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 120.693 -1.254 . . . . 10.0 112.0 169.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.22 -36.21 40.42 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.459 1.504 . . . . 10.0 112.059 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.9 -41.69 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.41 1.084 . . . . 10.0 109.223 169.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -57.63 -33.08 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.42 1.888 . . . . 10.0 113.502 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -77.47 -40.18 44.01 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.059 . . . . 10.0 112.4 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.49 -30.53 71.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.309 1.444 . . . . 10.0 113.217 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -128.59 39.06 3.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.266 1.826 . . . . 10.0 111.424 -171.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -71.09 42.99 0.07 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.565 1.946 . . . . 10.0 113.1 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -64.28 166.84 7.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.59 1.956 . . . . 10.0 113.562 -174.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -60.24 136.28 57.98 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.105 0.962 . . . . 10.0 112.256 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.681 1.993 . . . . 10.0 111.192 -179.17 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.507 0.194 . . . . 10.0 111.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.4 160.37 43.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 123.327 1.537 . . . . 10.0 112.956 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 14.5 p -76.15 152.82 84.3 Favored Pre-proline 0 N--CA 1.444 -0.774 0 CA-C-N 112.277 -2.238 . . . . 10.0 108.027 167.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 32.1 Cg_exo -61.18 -20.93 70.07 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 N-CA-C 116.572 1.72 . . . . 10.0 116.572 -169.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -141.08 130.2 23.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.964 1.305 . . . . 10.0 111.528 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -152.27 -36.01 0.12 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.233 1.413 . . . . 10.0 112.544 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.96 26.66 18.54 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.835 1.684 . . . . 10.0 113.902 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -146.06 -56.93 0.29 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.54 . . . . 10.0 112.266 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.48 -32.67 67.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.581 1.952 . . . . 10.0 112.924 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.69 3.17 1.51 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -123.06 2.03 9.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.014 1.726 . . . . 10.0 112.847 170.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.84 -49.4 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 127.801 2.44 . . . . 10.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -73.29 -39.15 65.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 123.698 0.799 . . . . 10.0 111.351 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.56 66.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.907 -1.121 . . . . 10.0 113.737 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.08 -45.92 75.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.251 1.42 . . . . 10.0 110.677 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -51.02 67.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.086 0.954 . . . . 10.0 110.554 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.79 -25.17 66.36 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -170.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -95.15 -27.1 15.73 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.835 1.05 . . . . 10.0 113.835 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 -40.28 14.84 Favored Glycine 0 N--CA 1.471 0.989 0 CA-C-N 118.892 0.769 . . . . 10.0 111.971 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -38.47 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 C-N-CA 124.024 0.93 . . . . 10.0 110.837 169.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.54 -22.86 65.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 113.906 1.076 . . . . 10.0 113.906 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -70.32 -27.74 64.62 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.407 1.458 . . . . 10.0 112.023 168.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -44.84 17.96 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.509 0.724 . . . . 10.0 112.212 169.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -56.86 -46.44 81.79 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 126.55 1.94 . . . . 10.0 111.902 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -57.63 -45.99 84.73 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.166 0.987 . . . . 10.0 109.852 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.72 -51.13 71.26 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.238 1.415 . . . . 10.0 114.338 173.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.33 -38.46 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.296 0.953 . . . . 10.0 110.581 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.9 m -68.51 -27.54 66.21 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.598 -0.689 . . . . 10.0 111.323 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 -30.17 45.14 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.798 -1.189 . . . . 10.0 111.242 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.11 95.65 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.629 -1.294 . . . . 10.0 109.152 167.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.18 -30.26 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.548 1.539 . . . . 10.0 113.573 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -31.76 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 120.892 1.678 . . . . 10.0 109.307 172.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -75.82 -44.06 43.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.44 1.096 . . . . 10.0 110.714 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -73.5 -19.76 60.84 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.696 -1.252 . . . . 10.0 112.153 -172.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.54 -20.12 44.19 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 126.051 1.74 . . . . 10.0 110.195 169.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.72 -53.63 5.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.27 2.228 . . . . 10.0 115.614 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -141.35 48.03 1.15 Allowed Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 126.205 1.802 . . . . 10.0 111.104 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 40' ' ' ASP 0.446 2.9 Cg_exo -19.06 -93.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.516 -0.395 1 C-N-CA 126.81 5.007 . . . . 10.0 121.865 -166.85 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.327 15.1 p -75.09 26.36 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 121.223 1.829 . . . . 10.0 114.586 -173.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 38' ' ' PRO . 4.6 t70 -66.98 92.82 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.177 1 N-CA-C 96.638 -5.319 . . . . 10.0 96.638 162.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.418 ' HA ' HD23 ' A' ' 44' ' ' LEU . 88.9 Cg_endo -67.06 -5.23 13.09 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 120.842 1.028 . . . . 10.0 113.716 -165.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.66 -51.84 8.74 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.63 1.172 . . . . 10.0 111.176 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.98 -41.22 82.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.808 1.185 . . . . 10.0 109.838 168.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 44' ' ' LEU 0.359 0.2 OUTLIER -60.22 -46.15 90.76 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.104 -1.427 . . . . 10.0 107.91 178.505 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.8 57.23 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 123.582 2.901 . . . . 10.0 109.286 -167.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.24 82.34 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 167.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.61 -54.35 33.32 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.147 -0.97 . . . . 10.0 109.981 168.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -55.15 -26.2 37.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.02 1.328 . . . . 10.0 111.599 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -77.65 -54.15 6.71 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.237 2.215 . . . . 10.0 112.826 171.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.32 -35.34 80.06 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.531 1.132 . . . . 10.0 112.384 -178.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tt -52.52 -42.77 64.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 130.287 3.435 . . . . 10.0 110.651 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -77.09 -42.04 39.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.969 0.907 . . . . 10.0 112.86 172.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.33 -31.75 69.46 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.67 0.788 . . . . 10.0 112.069 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -37.59 77.3 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.451 1.101 . . . . 10.0 110.611 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.41 -26.97 64.89 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 121.426 -0.797 . . . . 10.0 111.585 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.91 -35.53 69.71 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.369 -1.457 . . . . 10.0 111.286 169.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.3 t80 -56.6 -44.49 81.18 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.678 1.127 . . . . 10.0 107.966 168.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.9 92.04 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.189 2.195 . . . . 10.0 111.783 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -65.96 -45.93 79.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.491 1.516 . . . . 10.0 111.635 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.34 90.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.851 1.66 . . . . 10.0 110.744 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -75.66 24.01 0.12 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.258 1.823 . . . . 10.0 115.054 169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -141.09 12.26 2.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.46 2.704 . . . . 10.0 110.938 168.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -122.08 -49.07 2.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 127.942 2.497 . . . . 10.0 110.232 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 t -49.34 -41.97 40.35 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.766 2.027 . . . . 10.0 112.786 169.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.77 -25.37 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 131.045 3.738 . . . . 10.0 113.851 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -119.77 12.04 12.06 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.712 3.605 . . . . 10.0 112.157 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 69' ' ' LYS . 5.3 t -110.01 -27.98 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 129.302 3.041 . . . . 10.0 109.859 172.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -78.9 39.36 0.36 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 124.192 1.948 . . . . 10.0 109.888 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -148.89 -49.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.436 1 C-N-CA 135.471 5.508 . . . . 10.0 107.037 -169.871 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.5 -27.12 66.73 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.613 1.165 . . . . 10.0 110.813 167.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -43.53 90.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 C-N-CA 124.524 1.129 . . . . 10.0 110.65 169.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.15 -34.91 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.192 -0.942 . . . . 10.0 112.447 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.42 71.66 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.801 . . . . 10.0 111.02 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.52 71.19 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.046 -1.034 . . . . 10.0 112.549 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.25 -42.73 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.759 1.224 . . . . 10.0 110.632 171.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.28 -52.91 61.9 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.204 1.802 . . . . 10.0 111.739 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.35 -20.83 65.63 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -70.34 -1.1 9.53 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.635 1.574 . . . . 10.0 113.974 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 133.56 51.21 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.865 -1.147 . . . . 10.0 112.243 169.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -150.3 163.41 38.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.668 1.587 . . . . 10.0 111.387 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.27 -30.87 71.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.262 1.025 . . . . 10.0 113.126 171.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -149.47 138.83 21.48 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.93 1.692 . . . . 10.0 109.984 176.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.423 0 C-N-CA 124.304 1.042 . . . . 10.0 113.14 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.489 0.185 . . . . 10.0 110.504 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.18 160.38 43.89 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 123.133 1.444 . . . . 10.0 112.949 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.9 p -78.99 157.83 75.66 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 112.336 -2.211 . . . . 10.0 107.599 167.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.43 -4.15 3.98 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 118.193 2.344 . . . . 10.0 118.193 -170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -17.31 3.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.345 1.609 . . . . 10.0 115.345 173.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -56.63 -26.89 57.17 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.026 1.739 . . . . 10.0 113.423 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 1.8 44.87 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 116.286 1.274 . . . . 10.0 116.286 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -148.08 -53.63 0.2 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.516 1.658 . . . . 10.0 113.921 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.34 -35.56 70.07 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.294 1.838 . . . . 10.0 112.533 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.6 3.51 1.36 Allowed 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.51 5.04 6.85 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.162 1.785 . . . . 10.0 112.788 170.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.84 -41.72 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 128.098 2.559 . . . . 10.0 111.812 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -80.75 -43.5 20.11 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.493 1.117 . . . . 10.0 111.016 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.9 66.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -49.34 -48.74 46.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.337 1.855 . . . . 10.0 110.913 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -53.12 42.16 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.345 1.058 . . . . 10.0 111.203 169.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.1 -25.08 66.71 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.701 1.741 . . . . 10.0 115.701 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -95.4 -33.62 12.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.045 0.938 . . . . 10.0 113.483 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.53 80.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 120.937 -1.102 . . . . 10.0 111.809 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -57.61 -40.69 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 C-N-CA 124.167 0.987 . . . . 10.0 111.451 169.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.45 -23.86 62.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.45 -27.1 64.95 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.096 1.316 . . . . 10.0 111.596 168.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -45.45 17.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.174 0.59 . . . . 10.0 112.232 169.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -56.46 -47.15 79.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 126.551 1.94 . . . . 10.0 112.047 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -57.29 -46.06 83.5 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.434 1.094 . . . . 10.0 109.843 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.67 -51.5 69.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.446 1.498 . . . . 10.0 114.273 173.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -38.77 83.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 119.336 0.971 . . . . 10.0 110.546 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -68.7 -27.26 65.8 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.466 -0.772 . . . . 10.0 111.401 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.94 -30.28 44.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.708 -1.245 . . . . 10.0 111.096 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.09 95.95 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.64 -1.288 . . . . 10.0 109.134 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.11 -31.0 71.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.793 1.637 . . . . 10.0 113.697 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -31.31 69.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.778 1.626 . . . . 10.0 109.427 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.98 -41.98 49.69 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.328 1.051 . . . . 10.0 110.985 169.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -71.13 -39.62 71.89 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 120.33 -1.481 . . . . 10.0 110.711 -171.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.1 44.18 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.573 1.549 . . . . 10.0 111.244 169.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.96 -59.86 2.43 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.083 2.153 . . . . 10.0 115.774 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -136.15 77.96 47.5 Favored Pre-proline 0 N--CA 1.488 1.441 0 C-N-CA 126.17 1.788 . . . . 10.0 108.951 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -63.06 -20.19 70.78 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 121.369 3.565 . . . . 10.0 121.369 -166.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.33 85.4 p -126.8 49.96 2.0 Allowed 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 125.095 2.379 . . . . 10.0 113.139 169.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.05 83.43 0.23 Allowed Pre-proline 0 N--CA 1.441 -0.885 1 N-CA-C 92.927 -6.694 . . . . 10.0 92.927 162.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HA ' HD22 ' A' ' 44' ' ' LEU . 74.4 Cg_endo -62.38 -4.44 5.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 121.494 1.463 . . . . 10.0 112.814 -167.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.14 5.79 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.81 1.644 . . . . 10.0 111.831 170.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.41 -41.5 96.59 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.906 1.685 . . . . 10.0 109.433 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 44' ' ' LEU 0.397 0.2 OUTLIER -61.71 -45.48 93.78 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.188 -1.386 . . . . 10.0 108.26 179.722 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 44' ' ' LEU . . . -77.08 -18.71 57.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 123.626 2.921 . . . . 10.0 108.842 -168.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.65 82.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 167.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.6 -54.2 35.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 121.172 -0.955 . . . . 10.0 109.792 168.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -55.31 -24.43 28.77 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.955 1.302 . . . . 10.0 111.572 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -79.79 -53.46 6.77 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 127.82 2.448 . . . . 10.0 113.028 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.9 -34.15 77.32 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.623 1.169 . . . . 10.0 112.477 -178.433 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.0 -44.37 67.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 130.328 3.451 . . . . 10.0 110.391 168.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.4 m -75.47 -41.4 55.7 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.55 -33.51 71.5 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.255 0.934 . . . . 10.0 112.156 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -37.74 78.62 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.358 1.063 . . . . 10.0 110.389 175.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -26.17 64.93 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.472 -0.768 . . . . 10.0 112.302 169.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.12 -37.26 69.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.111 1.764 . . . . 10.0 111.313 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.437 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 10.5 t80 -55.67 -44.59 77.42 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.835 -1.172 . . . . 10.0 107.835 168.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -39.66 92.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.601 2.361 . . . . 10.0 112.722 174.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.55 -43.42 80.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.255 1.422 . . . . 10.0 111.435 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.49 95.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.818 1.647 . . . . 10.0 110.795 171.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.86 25.48 0.15 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.505 2.322 . . . . 10.0 113.362 168.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -147.52 23.58 1.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 129.02 2.928 . . . . 10.0 109.578 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.63 -51.27 1.26 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.777 2.431 . . . . 10.0 110.049 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -49.15 -44.41 42.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.686 1.995 . . . . 10.0 113.772 169.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.25 -26.82 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 130.64 3.576 . . . . 10.0 113.852 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.41 14.85 13.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 130.584 3.554 . . . . 10.0 111.988 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.82 -32.5 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 C-N-CA 129.693 3.197 . . . . 10.0 110.06 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -64.9 -22.32 66.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 107.184 -1.413 . . . . 10.0 107.184 166.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -64.74 -35.85 82.41 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.578 1.951 . . . . 10.0 111.093 167.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.32 -33.42 61.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.406 1.482 . . . . 10.0 113.272 171.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -43.02 97.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.898 0.856 . . . . 10.0 110.811 169.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.41 -34.27 77.92 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.645 -1.284 . . . . 10.0 113.72 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.64 -30.74 70.9 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.749 -1.219 . . . . 10.0 111.785 169.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.21 -32.39 70.26 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.896 -1.128 . . . . 10.0 112.477 169.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.47 -40.27 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.543 1.137 . . . . 10.0 110.769 170.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.91 -42.1 88.83 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.589 1.556 . . . . 10.0 111.509 169.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.89 -0.54 3.14 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.882 1.673 . . . . 10.0 113.478 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -123.36 14.81 9.66 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.608 2.363 . . . . 10.0 112.618 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -58.38 -19.52 36.41 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.936 1.828 . . . . 10.0 115.936 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -53.72 136.16 40.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.611 1.164 . . . . 10.0 113.024 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -138.26 -6.06 1.6 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -151.86 162.63 40.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.267 1.427 . . . . 10.0 111.336 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.2 m80 . . . . . 0 C--O 1.256 1.395 0 C-N-CA 126.301 1.841 . . . . 10.0 112.628 169.829 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -62.62 -20.37 64.7 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.363 1.245 . . . . 10.0 114.363 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.07 -7.14 74.24 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.711 1.148 . . . . 10.0 114.469 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -138.91 15.39 2.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.291 2.237 . . . . 10.0 112.586 -171.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -53.95 -44.33 70.6 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.944 1.697 . . . . 10.0 113.0 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -75.11 19.31 0.16 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.334 1.054 . . . . 10.0 113.829 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.35 -41.37 1.24 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.276 2.23 . . . . 10.0 110.617 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.79 -50.75 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 126.051 1.74 . . . . 10.0 112.516 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.2 t -74.89 -37.79 62.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.882 0.873 . . . . 10.0 110.653 169.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -14.81 27.31 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.03 -33.7 39.82 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.948 1.299 . . . . 10.0 112.253 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -39.2 85.74 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.81 1.644 . . . . 10.0 111.885 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.88 -15.75 63.22 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -169.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -106.02 -27.37 11.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.111 1.364 . . . . 10.0 113.688 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 0 O-C-N 120.884 -1.135 . . . . 10.0 112.23 171.466 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -69.91 -27.33 64.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.125 1.33 . . . . 10.0 111.433 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -43.98 18.87 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.857 0.863 . . . . 10.0 112.551 169.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.11 -47.1 84.29 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.937 1.695 . . . . 10.0 111.83 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -56.75 -44.79 82.07 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.454 1.102 . . . . 10.0 109.663 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.95 -52.08 67.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.114 1.366 . . . . 10.0 114.488 173.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -63.55 -37.75 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 119.461 1.028 . . . . 10.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 m -69.65 -27.87 65.41 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 123.763 0.825 . . . . 10.0 111.504 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.75 -29.59 40.57 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.696 -1.253 . . . . 10.0 111.019 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.13 93.55 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.702 -1.249 . . . . 10.0 109.414 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.69 -30.09 68.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.654 1.582 . . . . 10.0 113.312 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.37 -31.7 67.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 121.353 1.888 . . . . 10.0 109.367 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -75.22 -44.42 46.37 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.642 1.177 . . . . 10.0 111.381 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.11 -19.73 61.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.041 -1.037 . . . . 10.0 111.792 -175.378 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.82 -23.14 36.66 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 125.762 1.625 . . . . 10.0 110.526 169.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.8 -52.41 7.53 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.775 2.43 . . . . 10.0 116.222 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 42.7 tttp -139.79 48.03 1.44 Allowed Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.412 2.285 . . . . 10.0 109.93 -176.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.571 7.1 Cg_exo -16.03 -91.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 2 N-CA-C 123.912 4.543 . . . . 10.0 123.912 -165.542 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.2 p -74.91 9.47 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -48.47 107.24 0.72 Allowed Pre-proline 0 C--N 1.347 0.49 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 167.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.57 -24.29 42.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 114.706 1.002 . . . . 10.0 114.706 -167.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.68 95.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.036 0.834 . . . . 10.0 112.058 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.59 20.37 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.158 1.17 . . . . 10.0 114.158 170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -35.0 79.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.754 1.161 . . . . 10.0 109.698 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.9 -26.86 54.63 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.788 -1.195 . . . . 10.0 111.918 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.68 80.42 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.612 -0.68 . . . . 10.0 111.092 169.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.7 t80 -60.03 -54.99 39.47 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.205 1.002 . . . . 10.0 111.65 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.5 pp0? -65.96 -24.33 66.78 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.768 0.794 . . . . 10.0 111.241 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -65.91 -52.0 53.73 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.617 1.167 . . . . 10.0 110.851 169.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.1 -37.1 84.93 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.887 1.275 . . . . 10.0 112.617 -177.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.2 -38.42 62.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.432 3.093 . . . . 10.0 110.889 168.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -79.66 -40.81 28.28 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.889 0.876 . . . . 10.0 113.229 170.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.64 -32.75 69.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.125 0.875 . . . . 10.0 112.15 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.477 1.111 . . . . 10.0 110.788 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 5.9 t80 . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.09 90.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.022 2.129 . . . . 10.0 112.552 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.19 -43.47 78.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.424 1.49 . . . . 10.0 111.95 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.36 -37.28 82.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.733 1.613 . . . . 10.0 111.045 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.02 22.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.581 2.353 . . . . 10.0 113.78 169.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 t -142.29 16.73 2.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.102 2.561 . . . . 10.0 110.303 168.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -122.88 -50.39 1.95 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 128.048 2.539 . . . . 10.0 110.321 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.9 t -49.33 -43.49 43.69 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.609 1.963 . . . . 10.0 113.263 169.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.7 t -54.35 -25.64 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 130.803 3.641 . . . . 10.0 113.846 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -116.18 11.79 15.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 130.539 3.536 . . . . 10.0 112.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.78 -33.05 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 129.187 2.995 . . . . 10.0 110.824 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 167.486 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -56.92 -22.6 38.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 171.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.52 -3.2 75.16 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.19 1.376 . . . . 10.0 114.819 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.94 7.05 2.69 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.931 2.092 . . . . 10.0 113.204 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 13' ' ' SER . 61.8 tp -53.48 -48.17 69.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.339 1.455 . . . . 10.0 113.492 -169.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 19.78 0.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -130.69 -45.1 1.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.996 2.118 . . . . 10.0 110.2 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.54 -48.99 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 126.274 1.829 . . . . 10.0 112.617 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 9' ' ' LEU . 29.3 t -73.89 -48.18 32.74 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.123 169.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -21.84 14.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -50.28 -27.69 6.53 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.731 1.612 . . . . 10.0 113.622 169.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -19.64 62.93 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.4 3.08 . . . . 10.0 116.71 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.67 -28.96 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 119.765 3.246 . . . . 10.0 119.765 -167.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -101.23 -21.95 14.77 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.243 1.383 . . . . 10.0 114.433 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.069 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 173.189 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.445 -0.706 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -70.58 -27.04 63.82 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.083 1.31 . . . . 10.0 112.128 169.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -82.18 -44.01 16.95 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.825 0.85 . . . . 10.0 112.322 169.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -57.56 -46.48 83.88 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.578 1.951 . . . . 10.0 111.767 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.68 -45.85 81.49 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.478 1.111 . . . . 10.0 109.808 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.88 -51.82 68.39 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.222 1.409 . . . . 10.0 114.453 173.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.29 -37.8 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 119.475 1.034 . . . . 10.0 111.042 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -68.45 -27.4 66.14 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 123.438 0.695 . . . . 10.0 111.34 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.67 -29.17 40.79 Favored 'General case' 0 N--CA 1.442 -0.84 0 O-C-N 120.822 -1.174 . . . . 10.0 111.368 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.79 94.78 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.69 -1.256 . . . . 10.0 109.161 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.93 -29.85 69.02 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.508 1.523 . . . . 10.0 113.225 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.12 -31.87 69.33 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.396 1.907 . . . . 10.0 109.231 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -74.74 -44.58 49.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.728 1.211 . . . . 10.0 111.228 169.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -19.74 61.65 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 122.227 1.013 . . . . 10.0 111.828 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.58 36.62 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.869 1.667 . . . . 10.0 110.435 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -52.92 6.94 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.772 2.429 . . . . 10.0 116.12 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.5 tttt -140.05 48.3 1.46 Allowed Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 127.304 2.242 . . . . 10.0 110.041 -176.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.572 7.1 Cg_exo -16.0 -90.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 2 N-CA-C 123.843 4.517 . . . . 10.0 123.843 -165.53 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.84 10.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.985 1.106 . . . . 10.0 113.985 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.79 107.42 0.76 Allowed Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.646 -1.983 . . . . 10.0 105.646 167.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.13 -22.93 46.46 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 N-CA-C 115.785 1.417 . . . . 10.0 115.785 -166.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.18 74.1 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.871 0.76 . . . . 10.0 112.282 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.15 -41.95 24.39 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.119 0.872 . . . . 10.0 113.113 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.98 -44.57 95.66 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 117.746 -1.121 . . . . 10.0 108.543 179.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.82 60.52 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 122.198 2.272 . . . . 10.0 112.451 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.82 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.365 0.984 . . . . 10.0 109.636 168.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -61.34 -51.03 70.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 123.897 0.879 . . . . 10.0 110.014 168.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' HA ' HD13 ' A' ' 51' ' ' LEU . 13.3 mm100 -55.19 -31.4 61.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.357 1.063 . . . . 10.0 112.052 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -72.79 -50.91 21.29 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.318 1.047 . . . . 10.0 111.966 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -65.77 -35.65 81.32 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 124.312 1.045 . . . . 10.0 112.33 -177.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -54.19 -38.05 65.2 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.536 3.134 . . . . 10.0 111.048 168.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -80.07 -41.12 26.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.69 0.796 . . . . 10.0 112.779 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.93 -33.24 70.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.048 0.84 . . . . 10.0 112.155 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 C-N-CA 124.5 1.12 . . . . 10.0 110.744 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.2 t80 . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 107.79 -1.189 . . . . 10.0 107.79 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.06 93.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.379 2.271 . . . . 10.0 112.526 174.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.93 -42.96 80.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.494 1.518 . . . . 10.0 111.864 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.64 -37.71 82.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.802 1.641 . . . . 10.0 110.656 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -76.19 27.11 0.12 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.666 2.387 . . . . 10.0 113.741 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t -144.83 12.95 1.47 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.695 2.798 . . . . 10.0 110.378 168.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -121.49 -51.07 2.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.209 2.604 . . . . 10.0 110.294 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.3 t -50.38 -43.36 54.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.597 1.959 . . . . 10.0 113.164 169.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.0 t -52.17 -28.61 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 130.502 3.521 . . . . 10.0 113.584 171.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -113.98 12.65 18.08 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 130.454 3.502 . . . . 10.0 112.334 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.65 -34.04 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 C-N-CA 129.157 2.983 . . . . 10.0 110.841 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 167.252 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 115.055 1.502 . . . . 10.0 115.055 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -66.46 -5.44 11.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.73 1.381 . . . . 10.0 114.73 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 13.92 9.63 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.162 1.839 . . . . 10.0 114.43 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -148.98 -36.57 0.17 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.101 1.45 . . . . 10.0 114.674 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.69 -40.08 65.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.414 1.886 . . . . 10.0 112.594 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.43 -12.82 16.1 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.93 -13.4 15.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.077 1.351 . . . . 10.0 113.525 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -97.72 -51.32 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.601 2.361 . . . . 10.0 111.784 -176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.62 -38.87 90.66 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.403 1.081 . . . . 10.0 111.064 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.73 61.89 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.341 0.867 . . . . 10.0 113.341 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -56.68 -45.95 81.45 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.917 -1.115 . . . . 10.0 110.991 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -5.59 1.46 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.588 2.355 . . . . 10.0 114.415 170.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -121.26 -5.34 9.42 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.35 2.26 . . . . 10.0 114.883 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 t -138.93 -31.83 0.7 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.297 1.591 . . . . 10.0 115.297 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.066 0 N-CA-C 109.004 -1.638 . . . . 10.0 109.004 168.538 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.94 -28.64 64.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.0 1.273 . . . . 10.0 111.551 168.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -44.68 17.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.571 0.748 . . . . 10.0 112.157 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.68 -45.23 81.85 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.756 1.622 . . . . 10.0 111.903 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t -58.92 -45.05 91.29 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.071 0.948 . . . . 10.0 110.036 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.24 -52.08 66.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.194 1.397 . . . . 10.0 114.067 171.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.21 -37.58 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.438 1.017 . . . . 10.0 111.237 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 m -68.97 -27.71 65.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.445 0.698 . . . . 10.0 111.228 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.2 -28.74 42.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.721 -1.237 . . . . 10.0 111.237 174.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.75 92.03 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.625 -1.297 . . . . 10.0 109.403 167.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.98 -29.4 67.6 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.759 1.624 . . . . 10.0 113.345 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.76 -31.42 68.34 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.299 1.863 . . . . 10.0 109.238 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.91 -44.39 40.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.963 1.305 . . . . 10.0 111.278 169.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.09 -19.65 61.78 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.086 -1.009 . . . . 10.0 111.898 -175.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.58 -23.11 34.58 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 125.915 1.686 . . . . 10.0 110.451 169.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 -51.74 8.32 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.775 2.43 . . . . 10.0 116.094 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -140.76 47.46 1.11 Allowed Pre-proline 0 N--CA 1.489 1.516 0 C-N-CA 127.377 2.271 . . . . 10.0 109.748 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.566 7.5 Cg_exo -16.2 -90.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 2 N-CA-C 123.897 4.537 . . . . 10.0 123.897 -165.481 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.45 10.62 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 119.516 1.053 . . . . 10.0 113.802 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -49.48 106.85 0.68 Allowed Pre-proline 0 C--N 1.347 0.488 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 167.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.99 -24.54 45.39 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 N-CA-C 114.917 1.084 . . . . 10.0 114.917 -167.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.31 95.22 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.889 0.768 . . . . 10.0 112.122 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.46 -42.99 21.63 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.19 -34.66 78.6 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.701 1.137 . . . . 10.0 109.892 -179.715 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.12 56.71 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.858 1.208 . . . . 10.0 111.764 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.96 81.91 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.152 0.887 . . . . 10.0 111.313 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.8 t80 -61.1 -55.17 35.65 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.21 -0.931 . . . . 10.0 111.535 170.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.75 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.254 0.1 OUTLIER -66.35 -21.63 66.25 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.758 0.661 . . . . 10.0 111.463 -176.348 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -69.21 -52.78 24.37 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 125.297 1.439 . . . . 10.0 110.744 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -64.8 -37.26 87.0 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 125.037 1.335 . . . . 10.0 112.66 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.8 -38.14 60.81 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 129.551 3.14 . . . . 10.0 111.114 169.2 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -80.13 -41.25 25.79 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 123.581 0.752 . . . . 10.0 112.955 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.38 -32.63 67.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.073 0.851 . . . . 10.0 112.184 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 124.526 1.13 . . . . 10.0 111.109 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 107.694 -1.224 . . . . 10.0 107.694 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -38.0 84.91 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.661 2.384 . . . . 10.0 112.741 174.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -69.39 -45.6 68.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.691 1.597 . . . . 10.0 112.213 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.1 82.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.718 1.607 . . . . 10.0 110.965 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 64' ' ' THR . 29.5 tp60 -78.44 30.48 0.19 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.539 1.936 . . . . 10.0 114.229 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.7 t -145.48 18.22 1.51 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.683 3.193 . . . . 10.0 110.362 168.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -130.41 -47.29 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.996 2.519 . . . . 10.0 111.444 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -54.69 -37.35 65.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.997 1.719 . . . . 10.0 113.17 168.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.93 -25.81 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 130.694 3.598 . . . . 10.0 113.483 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -120.0 12.15 11.9 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.624 3.57 . . . . 10.0 111.928 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 t -113.3 -31.05 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 130.221 3.409 . . . . 10.0 110.385 169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.654 1.182 . . . . 10.0 108.881 167.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -63.02 -19.29 64.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.064 1.135 . . . . 10.0 114.064 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.38 -2.84 87.3 Favored Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.49 1.519 . . . . 10.0 114.617 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.41 -12.76 2.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.865 2.066 . . . . 10.0 113.915 -174.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.56 -50.34 60.27 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.684 1.593 . . . . 10.0 113.63 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.38 16.81 0.56 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.086 0.955 . . . . 10.0 113.53 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.91 -40.64 2.02 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.931 2.092 . . . . 10.0 110.267 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.77 -55.07 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 126.028 1.731 . . . . 10.0 112.513 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -68.13 -36.32 79.51 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.6 0.76 . . . . 10.0 111.044 171.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.84 -29.23 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 -173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -56.14 -24.87 43.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.707 1.203 . . . . 10.0 113.433 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.67 -3.76 38.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.212 2.605 . . . . 10.0 114.714 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.79 -17.16 21.0 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.809 1.781 . . . . 10.0 115.809 -169.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -98.28 -25.68 14.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.06 1.344 . . . . 10.0 114.291 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.362 0 O-C-N 121.213 -0.929 . . . . 10.0 111.703 175.762 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -69.94 -27.03 64.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.541 1.519 . . . . 10.0 111.038 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.98 -44.73 17.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.937 0.895 . . . . 10.0 112.415 169.614 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.94 -46.59 84.8 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.802 1.641 . . . . 10.0 111.862 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.72 -44.85 82.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.437 1.095 . . . . 10.0 109.937 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -59.33 -51.63 69.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.207 1.403 . . . . 10.0 114.32 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.19 -37.64 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 119.491 1.041 . . . . 10.0 110.963 177.214 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 m -69.74 -27.96 65.39 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 123.605 0.762 . . . . 10.0 111.448 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.09 -29.68 43.45 Favored 'General case' 0 N--CA 1.444 -0.768 0 O-C-N 120.801 -1.187 . . . . 10.0 111.145 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.82 92.49 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.716 -1.24 . . . . 10.0 109.562 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.08 -29.93 68.13 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.674 1.59 . . . . 10.0 113.177 169.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.52 -31.99 68.43 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 121.408 1.913 . . . . 10.0 109.144 171.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.13 -44.43 47.07 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.63 1.172 . . . . 10.0 111.431 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.23 -19.77 61.66 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.993 -1.067 . . . . 10.0 111.828 -175.346 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.92 -23.32 36.28 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.963 1.705 . . . . 10.0 110.455 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -52.14 7.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.796 2.438 . . . . 10.0 116.248 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.0 tttt -140.08 46.63 1.03 Allowed Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 127.361 2.264 . . . . 10.0 110.126 -175.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.579 6.6 Cg_exo -14.9 -91.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 2 N-CA-C 123.99 4.573 . . . . 10.0 123.99 -165.526 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.82 9.46 1.86 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -48.26 107.63 0.78 Allowed Pre-proline 0 C--N 1.347 0.465 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.17 -23.82 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 N-CA-C 114.809 1.042 . . . . 10.0 114.809 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.75 93.44 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.932 0.787 . . . . 10.0 111.947 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.56 -43.35 20.8 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.102 1.149 . . . . 10.0 114.102 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -34.8 78.76 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.787 1.176 . . . . 10.0 109.837 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.33 55.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 119.748 1.158 . . . . 10.0 111.79 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.25 79.56 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.21 -0.931 . . . . 10.0 111.33 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.6 t80 -61.44 -55.26 33.22 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 123.927 0.891 . . . . 10.0 111.557 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.257 0.0 OUTLIER -65.98 -24.64 66.83 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.802 0.811 . . . . 10.0 111.25 -176.185 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.3 m -66.86 -50.64 61.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 124.834 1.253 . . . . 10.0 111.125 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.35 -37.67 83.62 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.417 1.087 . . . . 10.0 112.646 -178.379 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.63 -39.96 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.296 3.038 . . . . 10.0 110.094 168.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -77.15 -42.21 38.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 171.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -58.57 -33.92 70.48 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.435 1.016 . . . . 10.0 112.27 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 124.257 1.023 . . . . 10.0 110.563 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.8 t80 . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -35.23 80.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.708 2.403 . . . . 10.0 113.002 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.05 -45.87 69.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.288 1.835 . . . . 10.0 111.027 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.29 88.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.132 1.773 . . . . 10.0 110.789 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 27.89 0.19 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.418 2.287 . . . . 10.0 113.306 168.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -144.5 18.32 1.69 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.912 2.885 . . . . 10.0 109.708 168.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -121.75 -51.76 2.03 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 128.027 2.531 . . . . 10.0 110.208 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -53.35 -38.83 63.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.703 2.001 . . . . 10.0 114.325 169.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.2 t -56.53 -44.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 128.561 2.744 . . . . 10.0 111.458 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.09 8.02 9.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 129.157 2.983 . . . . 10.0 113.258 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.27 -34.86 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 128.377 2.671 . . . . 10.0 111.234 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.159 -1.422 . . . . 10.0 107.159 166.568 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 m0 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -57.81 -21.92 44.63 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.373 1.249 . . . . 10.0 114.373 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.49 -5.41 78.99 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.959 1.266 . . . . 10.0 114.823 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -140.48 8.34 2.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.945 2.098 . . . . 10.0 113.076 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -46.07 -49.64 16.18 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.972 2.109 . . . . 10.0 114.507 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.37 12.59 1.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.964 1.098 . . . . 10.0 113.964 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -140.24 10.94 2.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.973 1.709 . . . . 10.0 112.027 169.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.33 -59.19 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 126.378 1.871 . . . . 10.0 110.765 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -66.43 -50.36 63.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.915 0.886 . . . . 10.0 110.191 169.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.71 59.2 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.16 1.17 . . . . 10.0 114.16 -171.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.97 -41.88 64.98 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.241 1.416 . . . . 10.0 110.701 169.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.37 -55.46 7.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.688 1.195 . . . . 10.0 110.909 168.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -29.36 68.43 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.533 2.049 . . . . 10.0 116.533 -169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -88.97 -30.68 18.6 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.403 -0.811 . . . . 10.0 113.077 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 O-C-N 121.457 -0.777 . . . . 10.0 111.723 178.297 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 113.855 1.058 . . . . 10.0 113.855 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.91 -27.86 65.13 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 120.13 1.332 . . . . 10.0 112.409 169.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.8 -44.56 18.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.681 0.792 . . . . 10.0 112.357 169.607 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -57.55 -46.74 83.54 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 126.892 2.077 . . . . 10.0 111.646 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.74 -46.5 81.34 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.469 1.108 . . . . 10.0 109.714 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.28 -51.82 68.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.265 1.426 . . . . 10.0 114.48 173.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.99 -37.67 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.396 0.998 . . . . 10.0 110.973 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 m -68.08 -27.64 66.67 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.534 0.734 . . . . 10.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -78.96 -29.0 43.72 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.867 -1.145 . . . . 10.0 111.186 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.91 93.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.608 -1.307 . . . . 10.0 109.306 167.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.45 -29.65 69.17 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.516 1.526 . . . . 10.0 113.4 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.48 -31.4 69.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 121.164 1.802 . . . . 10.0 109.136 172.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -75.46 -44.76 42.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.887 1.275 . . . . 10.0 111.152 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -19.7 61.62 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.025 -1.047 . . . . 10.0 111.798 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.9 37.02 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.948 1.699 . . . . 10.0 110.435 169.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.93 8.06 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.69 2.396 . . . . 10.0 116.164 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -141.34 49.13 1.4 Allowed Pre-proline 0 N--CA 1.49 1.563 0 C-N-CA 127.309 2.244 . . . . 10.0 109.682 -175.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.565 7.3 Cg_exo -17.17 -90.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.187 2 N-CA-C 123.79 4.496 . . . . 10.0 123.79 -165.601 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -76.06 10.53 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 119.699 1.136 . . . . 10.0 113.815 -169.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -49.22 106.92 0.68 Allowed Pre-proline 0 N--CA 1.469 0.493 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 167.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -66.24 -24.18 51.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 N-CA-C 115.9 1.462 . . . . 10.0 115.9 -166.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.3 77.92 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.853 0.751 . . . . 10.0 112.388 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.2 -42.38 23.43 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.038 0.835 . . . . 10.0 112.979 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.64 -44.15 97.0 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 117.621 -1.18 . . . . 10.0 108.519 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.88 -19.93 60.56 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.258 2.299 . . . . 10.0 112.521 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.63 79.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.332 0.969 . . . . 10.0 109.761 168.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -61.54 -51.02 70.31 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 123.844 0.858 . . . . 10.0 109.974 168.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.4 mm100 -54.6 -31.42 57.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.474 1.11 . . . . 10.0 112.084 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -50.57 21.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.189 0.996 . . . . 10.0 112.243 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.42 -34.25 76.85 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 124.2 1.0 . . . . 10.0 112.326 -178.236 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -54.06 -43.24 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 129.205 3.002 . . . . 10.0 109.996 168.361 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -73.52 -42.21 62.04 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.561 0.745 . . . . 10.0 112.898 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.37 72.47 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.328 -0.858 . . . . 10.0 112.387 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.445 0 C-N-CA 123.929 0.892 . . . . 10.0 110.242 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 14.3 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 107.679 -1.23 . . . . 10.0 107.679 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -35.78 81.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.186 2.194 . . . . 10.0 113.466 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.41 -45.15 80.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.638 1.575 . . . . 10.0 110.741 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.1 -41.95 98.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.118 1.767 . . . . 10.0 111.189 170.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -79.28 30.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.027 2.131 . . . . 10.0 113.588 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.18 17.77 1.38 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.291 3.037 . . . . 10.0 109.949 168.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -125.33 -51.02 1.64 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 127.361 2.265 . . . . 10.0 110.441 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -51.94 -41.04 61.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.378 1.871 . . . . 10.0 113.791 169.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.6 t -50.9 -29.81 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 130.317 3.447 . . . . 10.0 113.448 170.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -113.14 14.4 19.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 130.352 3.461 . . . . 10.0 112.544 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -34.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 129.308 3.043 . . . . 10.0 110.332 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 CA--C 1.551 1.012 0 N-CA-C 107.443 -1.317 . . . . 10.0 107.443 166.595 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 114.925 1.454 . . . . 10.0 114.925 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -58.78 -22.95 59.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.907 1.283 . . . . 10.0 114.415 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 -3.7 82.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.633 1.111 . . . . 10.0 114.767 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -142.24 7.13 1.76 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.447 2.299 . . . . 10.0 113.098 -170.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 tp -48.73 -51.24 29.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.307 1.843 . . . . 10.0 114.65 -168.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.15 10.33 1.59 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.375 1.25 . . . . 10.0 114.375 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -122.87 -32.14 3.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.225 1.81 . . . . 10.0 111.343 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -82.59 -60.87 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 126.016 1.726 . . . . 10.0 111.903 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -60.84 -39.2 88.18 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.873 0.869 . . . . 10.0 110.962 172.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.74 69.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -58.87 -29.23 66.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.421 1.088 . . . . 10.0 112.806 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.61 -28.8 15.19 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.654 2.382 . . . . 10.0 112.872 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.31 -19.92 16.52 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.014 1.857 . . . . 10.0 116.014 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -95.0 -25.98 16.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.144 1.165 . . . . 10.0 114.144 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 O-C-N 121.015 -1.053 . . . . 10.0 111.573 176.533 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.35 -23.35 62.79 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.035 1.289 . . . . 10.0 110.943 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 27' ' ' VAL 0.381 0.4 OUTLIER -85.53 -42.64 14.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.467 0.707 . . . . 10.0 112.285 168.876 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 22.4 tp60 -55.61 -47.86 75.84 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 126.577 1.951 . . . . 10.0 111.799 173.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.4 -45.19 84.81 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 124.539 1.136 . . . . 10.0 109.888 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -59.3 -50.12 75.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.549 1.54 . . . . 10.0 114.213 173.473 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.54 -38.49 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 119.458 1.026 . . . . 10.0 110.638 176.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.9 m -68.31 -27.47 66.32 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.581 0.752 . . . . 10.0 111.268 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.93 -29.44 39.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.997 -1.065 . . . . 10.0 111.021 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.2 96.38 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.75 -1.218 . . . . 10.0 109.23 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.99 -29.86 68.98 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.467 1.507 . . . . 10.0 113.181 169.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.94 -33.38 70.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 121.544 1.975 . . . . 10.0 109.182 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -72.71 -44.16 62.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.538 1.135 . . . . 10.0 111.236 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.95 -19.95 61.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.01 -1.056 . . . . 10.0 111.855 -175.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.63 38.44 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 125.984 1.714 . . . . 10.0 110.242 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.32 -53.47 6.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.031 2.533 . . . . 10.0 116.533 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HB3' HD21 ' A' ' 43' ' ' LEU . 33.6 ttmt -139.56 49.04 1.81 Allowed Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 127.407 2.283 . . . . 10.0 109.544 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.568 6.7 Cg_exo -17.09 -89.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 2 N-CA-C 123.863 4.524 . . . . 10.0 123.863 -165.593 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 10.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.548 1.067 . . . . 10.0 113.876 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.35 107.09 0.71 Allowed Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 167.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.6 -23.95 48.97 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 N-CA-C 115.956 1.483 . . . . 10.0 115.956 -166.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.5 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.793 0.724 . . . . 10.0 112.237 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.22 -41.95 24.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.177 0.899 . . . . 10.0 112.564 170.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.08 -45.26 92.96 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 117.84 -1.076 . . . . 10.0 108.699 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.83 60.51 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 121.925 2.148 . . . . 10.0 112.229 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.18 78.26 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.499 1.045 . . . . 10.0 109.81 168.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -61.69 -52.71 63.2 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 118.649 -0.691 . . . . 10.0 109.623 168.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.5 mm100 -54.23 -31.7 54.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 10.0 112.197 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.4 m -72.35 -55.25 7.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.074 0.95 . . . . 10.0 111.586 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -63.06 -37.36 86.88 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.627 1.171 . . . . 10.0 112.126 -177.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.32 -42.32 61.13 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 129.349 3.06 . . . . 10.0 110.942 168.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -78.34 -41.99 31.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.704 0.801 . . . . 10.0 112.615 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -57.99 -35.16 70.82 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 118.779 0.718 . . . . 10.0 111.548 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 C-N-CA 124.848 1.259 . . . . 10.0 110.243 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -42.2 99.45 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 128.271 2.628 . . . . 10.0 112.704 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.79 -44.23 81.85 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.345 1.458 . . . . 10.0 111.553 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.83 90.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.699 1.6 . . . . 10.0 110.719 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.0 OUTLIER -76.98 25.34 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.095 1.758 . . . . 10.0 114.751 169.61 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t -143.39 16.05 1.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 128.82 2.848 . . . . 10.0 110.394 168.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.98 -49.65 1.96 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.012 2.525 . . . . 10.0 110.219 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -49.75 -42.93 47.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.669 1.988 . . . . 10.0 113.246 169.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.5 -26.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 130.793 3.637 . . . . 10.0 113.704 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -113.95 11.93 17.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 130.446 3.498 . . . . 10.0 112.046 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 4.7 t -114.11 -33.77 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 129.111 2.964 . . . . 10.0 110.945 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 167.415 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 113.518 0.932 . . . . 10.0 113.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.52 -1.74 3.95 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.498 1.295 . . . . 10.0 114.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.11 23.68 4.61 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.052 1.787 . . . . 10.0 113.683 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -150.08 -43.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.699 1.599 . . . . 10.0 113.56 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.94 -37.15 68.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.336 1.854 . . . . 10.0 112.444 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.83 -16.42 40.89 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -97.4 -34.88 10.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.301 1.04 . . . . 10.0 112.888 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.9 t -71.46 -55.68 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.304 1.841 . . . . 10.0 111.591 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -65.62 -29.16 69.71 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.577 1.151 . . . . 10.0 112.226 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.16 -24.45 67.69 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.932 -1.105 . . . . 10.0 113.378 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -62.47 -35.19 78.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.041 0.936 . . . . 10.0 112.375 170.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -49.43 60.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.58 1.152 . . . . 10.0 108.492 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.98 -24.77 55.69 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.055 1.872 . . . . 10.0 116.055 -171.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -98.26 -28.04 13.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.017 1.118 . . . . 10.0 114.017 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.099 0 O-C-N 120.969 -1.082 . . . . 10.0 111.964 174.475 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 N--CA 1.445 -0.706 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -26.97 64.61 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 120.064 1.302 . . . . 10.0 111.891 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.3 -43.61 18.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.801 0.84 . . . . 10.0 112.506 169.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.94 -47.11 83.85 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 126.416 1.886 . . . . 10.0 111.784 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.8 -45.39 82.26 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.557 1.143 . . . . 10.0 109.758 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.76 68.46 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.142 1.377 . . . . 10.0 114.482 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.45 -37.85 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.494 1.043 . . . . 10.0 111.033 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -67.71 -27.45 66.82 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 123.575 0.75 . . . . 10.0 111.331 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.83 -28.2 40.16 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 120.826 -1.171 . . . . 10.0 111.427 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.25 91.83 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.406 -1.434 . . . . 10.0 109.121 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -67.96 -29.82 68.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.455 1.502 . . . . 10.0 113.274 169.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.37 -31.94 68.11 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.421 1.919 . . . . 10.0 109.441 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -75.11 -44.61 46.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.814 1.246 . . . . 10.0 111.357 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -19.73 61.69 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 122.212 1.005 . . . . 10.0 111.859 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.85 -22.98 36.66 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.814 1.645 . . . . 10.0 110.444 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -52.42 7.54 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.792 2.437 . . . . 10.0 116.235 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.6 ttmt -140.53 48.77 1.48 Allowed Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 127.378 2.271 . . . . 10.0 109.653 -176.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.564 7.4 Cg_exo -16.87 -90.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 2 N-CA-C 123.862 4.524 . . . . 10.0 123.862 -165.539 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.92 10.57 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 119.581 1.082 . . . . 10.0 113.848 -169.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.19 106.68 0.65 Allowed Pre-proline 0 N--CA 1.469 0.517 0 N-CA-C 105.816 -1.92 . . . . 10.0 105.816 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.09 -23.87 52.81 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 N-CA-C 115.993 1.497 . . . . 10.0 115.993 -166.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.82 76.1 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.873 0.76 . . . . 10.0 112.583 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.14 -42.0 24.34 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.151 0.887 . . . . 10.0 112.942 170.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.21 -44.6 94.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 117.705 -1.141 . . . . 10.0 108.243 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.05 -19.86 60.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 122.249 2.295 . . . . 10.0 112.434 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.17 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.412 1.005 . . . . 10.0 109.697 168.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.83 -51.34 69.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.96 0.904 . . . . 10.0 109.923 168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.0 mm100 -54.79 -31.19 58.65 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.378 1.071 . . . . 10.0 112.09 176.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -73.57 -50.24 22.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.199 1.0 . . . . 10.0 112.067 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.82 -36.15 81.71 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 124.263 1.025 . . . . 10.0 112.047 -177.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -52.16 -40.55 61.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.354 3.062 . . . . 10.0 110.474 168.682 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 m -78.69 -41.18 31.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.987 0.915 . . . . 10.0 113.108 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -58.81 -34.5 71.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.33 0.968 . . . . 10.0 112.156 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 C-N-CA 124.349 1.06 . . . . 10.0 110.369 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.3 t80 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -35.32 80.07 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.098 2.159 . . . . 10.0 113.43 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.1 -44.49 76.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.643 1.577 . . . . 10.0 110.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.26 97.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.593 1.557 . . . . 10.0 111.353 170.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 64' ' ' THR . 5.6 tp60 -81.78 33.36 0.37 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.209 1.804 . . . . 10.0 114.179 169.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 t -137.92 -24.66 1.01 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 129.787 3.235 . . . . 10.0 109.88 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -75.33 -52.4 10.91 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.12 1.768 . . . . 10.0 113.925 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 61' ' ' GLN . 9.8 t -52.06 -40.47 61.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.782 2.033 . . . . 10.0 114.273 174.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -57.78 -30.77 38.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 129.716 3.206 . . . . 10.0 112.179 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.56 11.89 38.52 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 129.952 3.301 . . . . 10.0 113.954 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.5 t -114.78 -35.11 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 128.638 2.775 . . . . 10.0 111.16 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 108.388 -0.967 . . . . 10.0 108.388 167.477 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.928 1.084 . . . . 10.0 113.928 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -59.06 -18.23 33.01 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.67 -0.21 64.66 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.397 1.475 . . . . 10.0 114.802 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.2 -12.78 1.4 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.165 1.786 . . . . 10.0 113.719 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -40.26 -52.55 2.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.654 2.782 . . . . 10.0 114.605 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.47 8.36 2.89 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.233 1.197 . . . . 10.0 114.233 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.37 0.63 6.33 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.572 1.549 . . . . 10.0 112.43 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -112.55 -62.29 2.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 C-N-CA 127.102 2.161 . . . . 10.0 110.702 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -61.88 -33.93 75.1 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.186 0.994 . . . . 10.0 111.938 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -15.34 47.92 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.968 1.099 . . . . 10.0 113.968 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -55.62 -38.29 69.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.058 0.943 . . . . 10.0 111.69 169.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.6 83.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.958 1.303 . . . . 10.0 111.64 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -18.39 58.04 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.978 1.473 . . . . 10.0 114.978 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -109.84 -24.83 10.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.414 1.485 . . . . 10.0 114.163 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.087 0 O-C-N 120.691 -1.256 . . . . 10.0 112.547 171.335 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -70.28 -27.09 64.14 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 120.129 1.331 . . . . 10.0 111.525 168.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.11 -44.87 17.31 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.064 0.946 . . . . 10.0 112.399 169.605 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 61.5 tp60 -56.46 -47.81 78.4 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.877 1.671 . . . . 10.0 112.01 174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.65 -44.59 81.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.377 1.071 . . . . 10.0 109.891 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.62 -51.99 67.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.201 1.4 . . . . 10.0 114.474 172.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.73 -37.53 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 119.489 1.04 . . . . 10.0 111.058 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -69.83 -27.93 65.27 Favored 'General case' 0 C--O 1.219 -0.54 0 C-N-CA 123.852 0.861 . . . . 10.0 111.527 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -79.44 -29.23 41.74 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 120.777 -1.202 . . . . 10.0 110.986 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.64 91.73 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.636 -1.29 . . . . 10.0 109.461 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.87 -29.97 68.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.657 1.583 . . . . 10.0 113.288 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.39 -31.47 67.71 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 121.31 1.868 . . . . 10.0 109.221 171.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.93 -44.44 40.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.846 1.258 . . . . 10.0 111.482 169.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.28 -19.79 61.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.994 -1.066 . . . . 10.0 111.801 -175.411 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.65 -23.33 37.0 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.848 1.659 . . . . 10.0 110.44 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -52.15 7.81 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.735 2.414 . . . . 10.0 116.12 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.8 tttt -140.27 47.63 1.23 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 127.286 2.234 . . . . 10.0 110.089 -175.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.573 6.6 Cg_exo -15.94 -91.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.104 2 N-CA-C 123.931 4.551 . . . . 10.0 123.931 -165.444 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.92 9.54 1.86 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.998 1.11 . . . . 10.0 113.998 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -48.49 107.6 0.78 Allowed Pre-proline 0 N--CA 1.469 0.499 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 167.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.01 -24.01 39.73 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 N-CA-C 114.65 0.981 . . . . 10.0 114.65 -167.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.82 94.13 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.033 0.833 . . . . 10.0 111.959 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.51 -43.59 20.51 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.173 1.175 . . . . 10.0 114.173 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.525 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.73 -34.85 78.81 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.797 1.181 . . . . 10.0 109.732 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.84 -27.3 55.07 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.721 -1.237 . . . . 10.0 112.008 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.43 77.76 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.45 -0.781 . . . . 10.0 111.26 169.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.2 t80 -61.12 -54.98 37.81 Favored 'General case' 0 CA--C 1.503 -0.861 0 O-C-N 121.158 -0.964 . . . . 10.0 111.69 170.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.2 pp0? -65.87 -24.83 66.95 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.846 0.831 . . . . 10.0 111.146 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -66.6 -50.25 63.65 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.452 1.101 . . . . 10.0 111.127 169.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.05 -37.54 84.25 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.561 1.145 . . . . 10.0 112.798 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.47 -37.82 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 129.381 3.072 . . . . 10.0 110.557 168.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -79.4 -41.22 28.2 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -58.28 -34.2 70.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.506 1.048 . . . . 10.0 112.088 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 124.325 1.05 . . . . 10.0 110.681 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.3 t80 . . . . . 0 CA--C 1.552 1.045 0 CA-C-O 122.397 1.094 . . . . 10.0 108.359 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -39.73 89.02 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.47 2.308 . . . . 10.0 113.35 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -66.42 -40.3 89.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.506 1.522 . . . . 10.0 111.124 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.9 -41.35 95.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.219 1.408 . . . . 10.0 110.833 170.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -76.89 32.23 0.14 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.045 2.138 . . . . 10.0 114.452 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -140.98 -38.6 0.42 Allowed 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.099 2.959 . . . . 10.0 108.208 168.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -58.59 -53.17 61.31 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 125.428 1.491 . . . . 10.0 112.409 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.2 t -53.25 -46.58 69.25 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.885 2.074 . . . . 10.0 114.415 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 65' ' ' VAL . 1.4 t -57.95 -35.66 52.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 129.139 2.975 . . . . 10.0 111.46 174.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -97.19 10.97 37.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 130.817 3.647 . . . . 10.0 113.803 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.5 -31.82 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 C-N-CA 129.228 3.011 . . . . 10.0 110.938 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 CA--C 1.551 1.012 0 N-CA-C 107.603 -1.258 . . . . 10.0 107.603 167.372 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -52.25 -25.82 10.31 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.117 1.895 . . . . 10.0 116.117 -174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.87 6.65 82.61 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.18 1.371 . . . . 10.0 115.081 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -145.49 -56.14 0.31 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.808 1.643 . . . . 10.0 113.09 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.95 -31.88 73.06 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.357 2.263 . . . . 10.0 113.026 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.48 -3.61 9.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.37 1.248 . . . . 10.0 114.37 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -121.67 13.03 10.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.901 1.68 . . . . 10.0 112.525 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.65 -58.82 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 127.762 2.425 . . . . 10.0 110.598 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -64.36 -31.9 73.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.048 0.939 . . . . 10.0 112.214 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.16 67.81 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.039 1.126 . . . . 10.0 114.039 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.455 1.102 . . . . 10.0 113.559 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -97.55 -34.72 10.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.815 1.246 . . . . 10.0 112.442 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -24.58 -60.74 0.06 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.849 2.86 . . . . 10.0 118.426 -168.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 t -87.36 -29.15 21.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.924 0 O-C-N 121.242 -0.911 . . . . 10.0 111.385 174.41 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 113.514 0.931 . . . . 10.0 113.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.4 -26.12 64.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.156 1.343 . . . . 10.0 112.443 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.68 -41.5 17.67 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.996 0.918 . . . . 10.0 112.914 169.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -59.45 -46.41 88.85 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 127.203 2.201 . . . . 10.0 111.492 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.2 -44.94 79.95 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.527 1.131 . . . . 10.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.19 -51.6 69.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.19 1.396 . . . . 10.0 114.581 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.95 -37.4 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 119.628 1.103 . . . . 10.0 110.98 177.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 m -69.43 -28.19 65.92 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.934 0.894 . . . . 10.0 111.273 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 -28.7 43.62 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 120.838 -1.164 . . . . 10.0 111.106 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.54 90.25 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.657 -1.277 . . . . 10.0 109.537 167.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.85 -29.64 68.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.716 1.606 . . . . 10.0 113.252 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -30.82 67.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.26 1.845 . . . . 10.0 109.32 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -76.73 -44.43 33.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.067 1.347 . . . . 10.0 111.438 169.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.3 -19.81 61.61 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.997 -1.064 . . . . 10.0 111.751 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.34 -23.45 37.77 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.828 1.651 . . . . 10.0 110.406 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -51.85 8.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.667 2.387 . . . . 10.0 116.206 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.7 tttt -140.82 48.56 1.35 Allowed Pre-proline 0 N--CA 1.489 1.505 0 C-N-CA 127.254 2.222 . . . . 10.0 110.024 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.574 6.9 Cg_exo -16.67 -90.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 2 N-CA-C 123.987 4.572 . . . . 10.0 123.987 -165.399 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.5 p -75.1 9.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 119.753 1.161 . . . . 10.0 114.057 -169.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -48.66 107.79 0.82 Allowed Pre-proline 0 N--CA 1.469 0.476 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 167.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.23 -23.95 38.46 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 N-CA-C 114.731 1.012 . . . . 10.0 114.731 -167.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.52 94.5 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.085 0.857 . . . . 10.0 111.917 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.57 -43.86 19.94 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 170.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 -34.66 78.35 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.832 -1.168 . . . . 10.0 109.793 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.44 -29.13 56.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.786 -1.196 . . . . 10.0 111.839 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.23 83.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.274 -0.891 . . . . 10.0 111.423 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.8 t80 -61.07 -55.3 34.26 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 124.122 0.969 . . . . 10.0 111.609 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.774 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.0 pp0? -65.67 -25.98 67.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.785 0.802 . . . . 10.0 111.276 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -65.83 -50.13 65.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 124.579 1.152 . . . . 10.0 111.2 169.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.29 -37.69 83.82 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.168 0.987 . . . . 10.0 112.52 -178.329 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -53.58 -35.97 61.41 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 129.675 3.19 . . . . 10.0 110.637 168.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.19 -42.62 23.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 170.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -58.63 -34.44 71.19 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.289 0.949 . . . . 10.0 112.331 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 124.692 1.197 . . . . 10.0 111.058 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -39.31 93.93 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 126.976 2.111 . . . . 10.0 112.845 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.73 -44.16 86.83 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.448 1.499 . . . . 10.0 111.024 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.79 97.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.105 1.762 . . . . 10.0 111.442 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -79.15 25.75 0.29 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.455 1.502 . . . . 10.0 113.537 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -141.05 18.12 2.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.247 3.019 . . . . 10.0 109.669 168.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -122.32 -51.32 1.98 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 127.478 2.311 . . . . 10.0 110.333 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -49.81 -43.05 48.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.708 2.003 . . . . 10.0 113.645 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.1 -28.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 130.535 3.534 . . . . 10.0 113.588 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -115.06 15.96 17.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 130.447 3.499 . . . . 10.0 112.404 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.8 t -115.8 -33.22 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 129.493 3.117 . . . . 10.0 110.258 173.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 CA--C 1.554 1.096 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 166.27 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -50.0 -22.64 1.65 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 118.947 2.943 . . . . 10.0 118.947 -168.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.36 1.5 82.23 Favored Glycine 0 CA--C 1.539 1.58 0 CA-C-N 119.828 1.195 . . . . 10.0 114.842 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -143.02 -40.1 0.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.867 2.067 . . . . 10.0 113.569 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.46 -42.83 67.59 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.102 1.761 . . . . 10.0 114.18 -169.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.33 -25.84 59.99 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -172.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -97.51 -41.62 8.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.022 0.929 . . . . 10.0 113.014 169.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.95 -47.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.407 1.483 . . . . 10.0 112.19 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -64.45 -47.57 78.54 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.758 1.223 . . . . 10.0 111.804 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.13 -32.57 72.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 119.284 -0.966 . . . . 10.0 112.371 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -66.11 -40.21 90.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.81 2.044 . . . . 10.0 112.295 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -18.33 60.69 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 115.72 1.748 . . . . 10.0 115.72 177.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -35.92 -39.13 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 118.552 2.797 . . . . 10.0 118.552 -168.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -105.31 -25.06 12.56 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.108 0 O-C-N 120.685 -1.259 . . . . 10.0 111.271 171.058 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 8.1 t70 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 113.527 0.936 . . . . 10.0 113.527 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.6 -27.09 64.8 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 120.054 1.297 . . . . 10.0 110.818 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.75 -45.35 17.2 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 170.035 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 72.5 tp60 -54.43 -48.04 72.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.116 1.766 . . . . 10.0 111.971 172.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -57.71 -43.88 85.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.406 1.003 . . . . 10.0 110.012 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.73 -52.36 65.76 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.203 1.401 . . . . 10.0 114.318 170.641 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.01 -37.5 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.785 1.175 . . . . 10.0 111.463 177.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -70.52 -27.68 64.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.035 0.934 . . . . 10.0 111.048 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.04 -28.84 43.28 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.972 -1.08 . . . . 10.0 111.201 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.9 92.5 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.618 -1.301 . . . . 10.0 109.562 167.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.71 -29.57 68.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.704 1.602 . . . . 10.0 113.076 169.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.57 -31.86 68.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 121.402 1.91 . . . . 10.0 109.228 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.36 -44.26 46.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.913 1.285 . . . . 10.0 111.336 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.65 -19.82 61.37 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.051 -1.031 . . . . 10.0 111.88 -175.351 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.72 -23.17 36.92 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 125.885 1.674 . . . . 10.0 110.315 169.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.78 -52.24 7.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.684 2.394 . . . . 10.0 116.184 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.3 tttt -140.44 48.28 1.37 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 127.205 2.202 . . . . 10.0 110.007 -175.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.6 Cg_exo -16.37 -90.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 2 N-CA-C 123.975 4.567 . . . . 10.0 123.975 -165.56 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.06 9.43 1.97 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.001 1.111 . . . . 10.0 114.001 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.73 107.72 0.81 Allowed Pre-proline 0 C--N 1.347 0.473 0 N-CA-C 106.147 -1.797 . . . . 10.0 106.147 167.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.05 -24.38 39.03 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 N-CA-C 114.884 1.071 . . . . 10.0 114.884 -167.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.01 93.99 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.018 0.827 . . . . 10.0 112.008 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.53 20.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.17 -35.03 79.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.776 1.171 . . . . 10.0 109.893 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.85 -27.66 55.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.805 1.184 . . . . 10.0 111.891 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.25 80.66 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.475 -0.766 . . . . 10.0 111.125 169.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.428 ' CB ' HD12 ' A' ' 34' ' ' LEU . 49.2 t80 -60.86 -54.95 38.8 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.158 -0.964 . . . . 10.0 111.71 170.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.9 pp0? -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.86 0.838 . . . . 10.0 111.066 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -66.45 -49.6 66.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.575 1.15 . . . . 10.0 111.27 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.76 -38.18 83.1 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.692 1.197 . . . . 10.0 112.63 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.31 -36.34 61.14 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 129.479 3.111 . . . . 10.0 110.457 168.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -80.11 -42.38 23.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.216 0.821 . . . . 10.0 113.216 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -57.74 -35.41 70.67 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.699 1.136 . . . . 10.0 112.25 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 124.798 1.239 . . . . 10.0 111.305 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.1 t80 . . . . . 0 CA--C 1.552 1.024 0 CA-C-O 122.454 1.121 . . . . 10.0 108.196 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -66.23 -39.26 89.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.296 2.638 . . . . 10.0 113.308 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -66.1 -42.1 89.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.776 1.63 . . . . 10.0 111.18 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.899 1.68 . . . . 10.0 110.369 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -79.29 30.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 123.508 1.623 . . . . 10.0 113.773 168.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 t -142.29 12.75 1.98 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 129.996 3.318 . . . . 10.0 110.505 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -123.07 -48.71 1.98 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 127.918 2.487 . . . . 10.0 111.117 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.3 t -55.47 -35.96 66.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.279 1.831 . . . . 10.0 113.358 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.8 t -53.48 -32.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 129.899 3.28 . . . . 10.0 112.819 170.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -101.23 11.38 39.47 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 129.857 3.263 . . . . 10.0 112.797 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -116.63 -33.47 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 129.196 2.998 . . . . 10.0 111.298 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 167.412 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -108.83 -3.17 17.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.259 0.936 . . . . 10.0 113.355 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.77 -37.36 0.36 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.511 1.529 . . . . 10.0 112.494 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.6 -50.03 72.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.234 1.017 . . . . 10.0 111.924 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.17 -41.17 78.74 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.96 0.904 . . . . 10.0 111.709 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.14 -5.44 6.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.769 1.227 . . . . 10.0 113.907 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -107.29 -35.68 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.434 1.494 . . . . 10.0 112.068 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.28 -56.11 10.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 125.738 1.615 . . . . 10.0 111.948 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.9 t -63.7 -37.3 86.85 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.663 1.185 . . . . 10.0 111.742 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.71 74.9 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 4.6 ptmt -58.55 -17.29 20.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.24 1.416 . . . . 10.0 113.844 174.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CD2' ' HG2' ' A' ' 15' ' ' LYS . 40.8 m-85 -114.85 4.3 14.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 10.0 115.496 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.67 -15.9 22.73 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.817 1.784 . . . . 10.0 115.817 -169.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -97.14 -30.44 13.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.203 1.401 . . . . 10.0 114.157 171.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 O-C-N 120.664 -1.272 . . . . 10.0 111.799 176.08 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 113.77 1.026 . . . . 10.0 113.77 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.29 -26.49 63.83 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.371 1.442 . . . . 10.0 110.341 167.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.35 -46.04 16.74 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.505 0.722 . . . . 10.0 112.302 169.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.06 -47.17 81.62 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.385 1.474 . . . . 10.0 112.014 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.88 -45.22 82.67 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.441 1.097 . . . . 10.0 109.845 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.77 68.39 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.23 1.412 . . . . 10.0 114.247 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.61 -37.88 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.113 0.87 . . . . 10.0 111.066 177.279 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 m -68.91 -28.0 66.28 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 123.58 0.752 . . . . 10.0 111.305 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.677 -1.264 . . . . 10.0 111.126 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.62 90.94 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.669 -1.269 . . . . 10.0 109.553 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.57 -29.83 68.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.624 1.57 . . . . 10.0 113.228 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.73 -31.28 68.16 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.232 1.833 . . . . 10.0 109.225 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -76.28 -44.28 37.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.906 1.282 . . . . 10.0 111.494 169.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.3 -19.65 61.64 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.076 -1.015 . . . . 10.0 111.876 -175.517 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.97 -23.21 36.2 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 125.997 1.719 . . . . 10.0 110.411 169.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -51.57 8.5 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.683 2.393 . . . . 10.0 116.33 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 40.4 tttm -140.81 46.67 0.95 Allowed Pre-proline 0 N--CA 1.49 1.566 0 C-N-CA 127.298 2.239 . . . . 10.0 110.26 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.587 6.4 Cg_exo -14.66 -92.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.173 2 N-CA-C 123.943 4.555 . . . . 10.0 123.943 -165.43 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.4 p -74.34 9.23 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.645 1.111 . . . . 10.0 113.982 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -48.36 107.31 0.73 Allowed Pre-proline 0 C--N 1.347 0.491 0 N-CA-C 106.296 -1.742 . . . . 10.0 106.296 167.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.68 -24.61 41.06 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 N-CA-C 114.737 1.014 . . . . 10.0 114.737 -167.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.51 95.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.087 0.858 . . . . 10.0 112.076 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.63 19.82 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 170.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.47 -34.56 78.03 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.627 1.103 . . . . 10.0 109.622 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.68 -27.65 55.63 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 120.747 -1.221 . . . . 10.0 111.973 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.6 -35.38 78.87 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.368 -0.832 . . . . 10.0 111.321 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.2 t80 -61.82 -54.79 37.34 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 124.057 0.943 . . . . 10.0 111.728 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.779 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.6 pp0? -64.74 -26.57 68.42 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.667 0.746 . . . . 10.0 111.293 -177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -65.91 -48.04 72.76 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.411 1.085 . . . . 10.0 111.846 169.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -69.73 -36.99 76.35 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.024 0.929 . . . . 10.0 112.607 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.61 -41.81 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 128.802 2.841 . . . . 10.0 109.304 168.399 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 m -72.58 -42.0 65.06 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -61.36 -35.1 76.51 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.183 0.901 . . . . 10.0 112.339 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 C-N-CA 123.927 0.891 . . . . 10.0 109.779 175.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 22.9 t80 . . . . . 0 CA--C 1.553 1.079 0 N-CA-C 107.677 -1.231 . . . . 10.0 107.677 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.91 74.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.27 2.228 . . . . 10.0 114.158 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -65.58 -44.94 85.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.659 1.584 . . . . 10.0 110.489 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.74 99.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.381 1.872 . . . . 10.0 111.355 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.08 35.2 0.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 123.823 1.773 . . . . 10.0 113.836 169.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 t -144.32 9.37 1.42 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.243 3.417 . . . . 10.0 110.226 168.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -116.47 -50.86 2.62 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 127.714 2.406 . . . . 10.0 110.51 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -56.84 -35.66 69.09 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 10.0 114.147 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' H ' HG23 ' A' ' 65' ' ' VAL . 3.0 t -57.12 -47.67 83.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 128.202 2.601 . . . . 10.0 111.073 171.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.73 7.11 3.29 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 129.084 2.953 . . . . 10.0 113.361 172.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -35.9 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 128.623 2.769 . . . . 10.0 111.286 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 107.015 -1.476 . . . . 10.0 107.015 166.267 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.5 m95 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -62.33 -21.83 65.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.696 1.589 . . . . 10.0 114.319 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.51 -2.05 82.76 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.93 1.252 . . . . 10.0 115.263 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -144.08 8.12 1.42 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.517 1.527 . . . . 10.0 114.032 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -51.22 -44.47 61.64 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.507 1.923 . . . . 10.0 113.176 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -71.51 11.95 0.41 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -122.19 -46.79 2.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.573 1.949 . . . . 10.0 109.582 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.2 -43.73 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 125.91 1.684 . . . . 10.0 113.262 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 t -79.16 -38.84 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.827 0.851 . . . . 10.0 111.102 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.34 -22.95 64.65 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -173.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.518 1.127 . . . . 10.0 111.802 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -46.45 63.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.892 1.277 . . . . 10.0 111.153 170.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.41 -21.1 66.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.808 1.411 . . . . 10.0 114.808 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -98.84 -30.83 12.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.604 1.162 . . . . 10.0 113.539 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 120.974 -1.079 . . . . 10.0 112.382 174.404 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 113.373 0.879 . . . . 10.0 113.373 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -69.61 -27.63 65.25 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.231 1.378 . . . . 10.0 111.374 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -79.98 -44.6 19.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.498 0.719 . . . . 10.0 111.664 169.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -58.0 -46.98 84.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.218 1.407 . . . . 10.0 112.072 176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.51 -46.01 84.29 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.586 1.154 . . . . 10.0 109.843 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 14.4 mt-30 -58.95 -49.42 77.9 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.548 1.539 . . . . 10.0 114.826 174.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 50' ' ' LYS . 1.1 m -66.95 -36.66 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 120.797 -1.189 . . . . 10.0 112.052 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -66.69 -27.52 67.72 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.08 0.552 . . . . 10.0 110.907 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.66 -28.7 40.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.015 -1.053 . . . . 10.0 111.583 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.62 97.31 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.553 -1.342 . . . . 10.0 108.993 167.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.25 -30.17 70.55 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.272 1.429 . . . . 10.0 112.911 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.43 -34.27 72.29 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 121.769 2.077 . . . . 10.0 109.374 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.6 -43.47 69.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.192 0.997 . . . . 10.0 111.144 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -20.25 60.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.316 1.055 . . . . 10.0 111.787 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -23.15 38.91 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 126.025 1.73 . . . . 10.0 109.928 169.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.63 5.41 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.117 2.567 . . . . 10.0 116.543 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' A' ' 43' ' ' LEU . 66.1 tttt -138.16 49.13 2.3 Favored Pre-proline 0 N--CA 1.491 1.596 0 C-N-CA 127.477 2.311 . . . . 10.0 109.847 -176.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -16.89 -89.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.265 2 N-CA-C 123.88 4.531 . . . . 10.0 123.88 -165.501 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -76.33 10.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.52 107.58 0.81 Allowed Pre-proline 0 C--N 1.348 0.528 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 167.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.17 -24.06 44.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 N-CA-C 115.704 1.386 . . . . 10.0 115.704 -166.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.1 75.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.945 0.793 . . . . 10.0 112.397 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.05 -42.0 24.59 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.147 0.885 . . . . 10.0 112.792 170.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.44 -44.96 93.04 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.673 -1.156 . . . . 10.0 108.995 -179.502 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -75.33 -19.84 59.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 121.828 2.104 . . . . 10.0 112.123 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.43 79.7 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.303 0.956 . . . . 10.0 109.436 167.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -61.85 -51.86 66.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 118.67 -0.681 . . . . 10.0 109.641 168.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HA ' HD13 ' A' ' 51' ' ' LEU . 43.6 mm-40 -55.54 -31.47 62.14 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.248 1.019 . . . . 10.0 112.288 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 t -76.0 -48.79 19.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.908 1.283 . . . . 10.0 112.009 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 26.6 mmmt -66.47 -36.0 81.68 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -49.35 -40.78 36.76 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 128.738 2.815 . . . . 10.0 110.283 168.703 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -80.34 -38.61 30.21 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 114.984 1.475 . . . . 10.0 114.984 171.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.52 -30.68 68.76 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.591 1.541 . . . . 10.0 112.086 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 121.06 -1.025 . . . . 10.0 110.703 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.419 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 4.8 t80 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.26 96.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.565 2.346 . . . . 10.0 111.672 174.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.35 -44.8 86.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.437 1.495 . . . . 10.0 112.049 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.58 92.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.631 1.973 . . . . 10.0 110.579 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.2 tp-100 -77.01 25.74 0.15 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.488 1.915 . . . . 10.0 114.11 169.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -145.28 21.86 1.53 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.236 3.014 . . . . 10.0 110.173 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -131.59 -49.2 0.97 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.874 2.47 . . . . 10.0 110.315 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.8 t -51.0 -41.22 59.62 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.829 2.052 . . . . 10.0 113.209 169.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -51.82 -25.92 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 131.028 3.731 . . . . 10.0 113.941 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -121.6 12.37 10.71 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.56 3.544 . . . . 10.0 111.618 -174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 3.5 t -115.46 -32.45 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 C-N-CA 130.299 3.44 . . . . 10.0 110.378 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 107.876 -1.157 . . . . 10.0 107.876 167.603 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.0 p90 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -61.63 -21.35 64.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.404 1.482 . . . . 10.0 114.576 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.87 -5.19 68.62 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.273 1.416 . . . . 10.0 114.483 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.81 8.83 3.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.179 2.192 . . . . 10.0 113.028 -175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.23 -42.37 73.3 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.55 1.54 . . . . 10.0 113.061 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.38 7.75 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -117.51 -53.96 2.4 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.2 1.8 . . . . 10.0 108.51 168.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.93 -37.77 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 126.603 1.961 . . . . 10.0 113.315 -172.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -84.52 -43.3 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.57 0.748 . . . . 10.0 111.386 170.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.98 72.64 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -170.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -54.84 -10.41 0.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.573 3.549 . . . . 10.0 115.674 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -134.74 -23.07 1.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.356 2.262 . . . . 10.0 113.795 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -26.11 -69.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 129.243 3.017 . . . . 10.0 117.861 -168.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -72.41 -30.59 64.78 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -169.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.796 0 O-C-N 121.582 -0.699 . . . . 10.0 111.491 176.06 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -69.22 -25.49 64.34 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 120.18 1.355 . . . . 10.0 112.798 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -84.89 -41.65 15.77 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.123 0.969 . . . . 10.0 112.856 170.115 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -59.28 -46.22 89.12 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 127.834 2.454 . . . . 10.0 111.334 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -56.22 -45.46 79.91 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.568 1.147 . . . . 10.0 109.542 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.3 -51.63 69.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 10.0 114.511 172.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.2 -37.33 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.528 1.058 . . . . 10.0 110.939 177.378 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 m -69.7 -28.35 65.76 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 123.974 0.909 . . . . 10.0 111.343 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.85 -28.96 44.33 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 120.798 -1.189 . . . . 10.0 111.106 173.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.38 90.77 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.636 -1.29 . . . . 10.0 109.664 167.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.01 -30.23 68.57 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.919 1.687 . . . . 10.0 113.282 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.34 -30.36 66.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 121.105 1.775 . . . . 10.0 109.317 171.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -77.17 -44.42 30.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.909 1.284 . . . . 10.0 111.581 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.82 -20.26 61.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.944 -1.097 . . . . 10.0 111.643 -175.103 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.51 40.25 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 125.595 1.558 . . . . 10.0 110.178 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -56.6 4.02 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.505 2.322 . . . . 10.0 115.893 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -136.52 70.91 59.8 Favored Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 126.679 1.992 . . . . 10.0 109.058 177.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.429 3.5 Cg_exo -37.38 -77.52 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.293 3.92 . . . . 10.0 122.293 -166.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -82.41 12.39 4.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.857 -1.152 . . . . 10.0 113.533 -171.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.2 108.87 1.22 Allowed Pre-proline 0 N--CA 1.47 0.547 0 N-CA-C 105.509 -2.034 . . . . 10.0 105.509 167.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.61 -23.6 36.51 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 CA-C-N 119.806 0.966 . . . . 10.0 114.487 -167.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.46 94.62 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 0.841 . . . . 10.0 112.044 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.52 -43.25 21.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 171.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -65.42 -34.36 78.11 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.694 1.134 . . . . 10.0 109.964 -179.669 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.42 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 119.834 1.197 . . . . 10.0 111.56 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.49 87.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.218 -0.926 . . . . 10.0 111.339 169.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' HD12 ' A' ' 34' ' ' LEU . 59.0 t80 -60.15 -55.11 37.83 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 124.049 0.94 . . . . 10.0 111.661 170.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.261 0.0 OUTLIER -66.42 -23.74 66.35 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.109 0.88 . . . . 10.0 111.209 -175.641 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t -66.41 -52.08 50.33 Favored 'General case' 0 N--CA 1.461 0.088 0 C-N-CA 125.19 1.396 . . . . 10.0 110.798 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.43 -37.37 85.03 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.838 1.255 . . . . 10.0 112.479 -177.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.6 -36.46 61.99 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.663 3.185 . . . . 10.0 110.82 168.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.17 -42.11 24.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.304 0.853 . . . . 10.0 113.304 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -58.63 -34.52 71.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.202 0.91 . . . . 10.0 112.346 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 124.658 1.183 . . . . 10.0 111.022 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 17.4 t80 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -39.67 94.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.723 2.009 . . . . 10.0 112.684 175.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.65 -43.72 88.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.616 1.566 . . . . 10.0 111.233 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.02 99.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.075 1.75 . . . . 10.0 111.175 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 tp60 -78.36 27.37 0.2 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 123.629 1.68 . . . . 10.0 113.404 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -144.87 23.22 1.56 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 129.535 3.134 . . . . 10.0 109.704 168.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -130.35 -49.58 1.09 Allowed 'General case' 0 C--N 1.343 0.298 0 C-N-CA 127.699 2.4 . . . . 10.0 110.793 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -51.06 -40.74 59.04 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.404 1.881 . . . . 10.0 113.825 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.51 -28.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 130.724 3.609 . . . . 10.0 113.477 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -115.75 13.18 16.12 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 130.263 3.425 . . . . 10.0 111.549 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 t -117.28 -35.17 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 C-N-CA 129.839 3.255 . . . . 10.0 110.434 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.566 -1.272 . . . . 10.0 107.566 166.592 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 116.131 1.901 . . . . 10.0 116.131 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -69.78 -23.7 63.39 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 122.065 2.212 . . . . 10.0 114.041 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 -4.28 74.37 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.791 1.186 . . . . 10.0 114.859 177.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -141.33 13.3 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.531 2.333 . . . . 10.0 112.279 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 13' ' ' SER . 58.2 tp -41.75 -55.97 2.82 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 127.761 2.424 . . . . 10.0 115.948 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.31 5.07 6.06 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -170.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.69 -31.73 4.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.417 1.487 . . . . 10.0 112.241 169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.16 -65.54 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 125.236 1.414 . . . . 10.0 110.723 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 9' ' ' LEU . 33.4 t -59.69 -34.69 73.2 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.729 1.212 . . . . 10.0 112.441 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.65 76.74 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.224 0.824 . . . . 10.0 113.224 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -14.93 33.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.97 2.108 . . . . 10.0 114.087 173.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -123.67 6.07 8.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.003 2.521 . . . . 10.0 114.073 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.34 -16.31 8.57 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 116.629 2.085 . . . . 10.0 116.629 -168.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -104.09 -20.2 13.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.11 1.364 . . . . 10.0 114.592 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 O-C-N 121.278 -0.888 . . . . 10.0 111.282 173.562 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 15.9 t70 . . . . . 0 N--CA 1.44 -0.933 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.3 -27.63 64.54 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 120.213 1.37 . . . . 10.0 111.288 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.78 -45.76 16.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.618 0.767 . . . . 10.0 112.117 169.656 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 2.6 tp-100 -57.19 -45.06 84.08 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.486 1.515 . . . . 10.0 112.003 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -58.26 -45.21 88.26 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.253 1.021 . . . . 10.0 110.07 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.37 -52.38 65.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.138 1.375 . . . . 10.0 113.833 172.529 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.13 -37.67 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 119.29 0.95 . . . . 10.0 111.307 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.8 m -69.14 -28.15 66.19 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.49 0.716 . . . . 10.0 111.31 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.98 -28.73 43.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.803 -1.185 . . . . 10.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.94 91.58 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.734 -1.229 . . . . 10.0 109.515 167.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.42 -30.13 68.96 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.647 1.579 . . . . 10.0 113.243 169.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -31.17 67.86 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.2 1.818 . . . . 10.0 109.203 171.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -76.12 -44.12 40.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.755 1.222 . . . . 10.0 111.504 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.31 -20.4 60.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.958 -1.089 . . . . 10.0 111.748 -174.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.47 40.55 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.678 1.591 . . . . 10.0 110.028 169.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -56.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.54 2.336 . . . . 10.0 115.984 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.28 69.02 62.41 Favored Pre-proline 0 N--CA 1.485 1.294 0 C-N-CA 126.819 2.047 . . . . 10.0 109.407 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.44 5.0 Cg_exo -36.09 -78.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.454 0 N-CA-C 122.403 3.963 . . . . 10.0 122.403 -166.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.4 p -82.1 12.17 4.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 119.882 1.219 . . . . 10.0 113.431 -170.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.93 108.66 1.15 Allowed Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 167.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.58 -23.61 36.66 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 CA-C-N 119.826 0.974 . . . . 10.0 114.363 -167.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.28 94.82 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.144 0.884 . . . . 10.0 112.067 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.3 pp -80.49 -43.78 20.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 170.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.96 -34.54 78.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.721 1.146 . . . . 10.0 109.897 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.42 53.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.72 1.145 . . . . 10.0 111.712 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.79 81.77 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.392 -0.818 . . . . 10.0 111.124 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.1 t80 -60.56 -54.85 40.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 121.211 -0.93 . . . . 10.0 111.596 170.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.759 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.3 pp0? -65.92 -25.4 67.12 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 124.075 0.859 . . . . 10.0 110.809 -176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -66.17 -48.69 69.92 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.744 1.218 . . . . 10.0 111.62 169.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -68.47 -36.52 79.09 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.726 1.21 . . . . 10.0 112.581 -178.745 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -54.76 -39.15 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.184 2.994 . . . . 10.0 110.079 168.83 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -76.29 -39.32 54.53 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 169.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.28 -35.01 76.13 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.266 1.393 . . . . 10.0 112.253 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 124.209 1.004 . . . . 10.0 109.891 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -37.42 87.19 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.04 2.536 . . . . 10.0 112.81 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.24 -43.83 77.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.677 1.591 . . . . 10.0 110.965 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.25 97.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.189 1.795 . . . . 10.0 110.695 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.52 25.49 0.25 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.97 2.108 . . . . 10.0 113.307 168.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.35 24.39 1.27 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.977 2.911 . . . . 10.0 108.94 168.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -126.1 -52.29 1.53 Allowed 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 127.973 2.509 . . . . 10.0 110.117 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -49.93 -43.04 49.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.716 2.006 . . . . 10.0 114.374 169.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.72 -30.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 130.037 3.335 . . . . 10.0 113.115 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -106.79 14.54 26.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.115 3.366 . . . . 10.0 112.437 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -116.88 -36.23 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 128.726 2.81 . . . . 10.0 110.91 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 107.448 -1.316 . . . . 10.0 107.448 166.466 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 114.775 1.398 . . . . 10.0 114.775 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -63.94 -5.78 5.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.02 21.58 5.52 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.067 1.794 . . . . 10.0 114.199 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -149.91 -35.4 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.411 1.484 . . . . 10.0 114.255 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.26 -36.21 63.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.217 2.207 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.65 -32.06 64.98 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.322 1.23 . . . . 10.0 114.322 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.42 -36.22 20.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.11 -54.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.109 1.763 . . . . 10.0 111.584 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -65.91 -34.17 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.863 1.265 . . . . 10.0 112.017 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.07 67.22 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -58.7 -37.34 75.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 10.0 112.109 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.17 -52.18 44.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.668 1.187 . . . . 10.0 109.013 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.3 -27.34 68.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.412 1.634 . . . . 10.0 115.412 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -93.65 -31.24 14.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.174 0.989 . . . . 10.0 113.554 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 O-C-N 121.18 -0.95 . . . . 10.0 111.96 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 11.6 t70 . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 113.552 0.945 . . . . 10.0 113.552 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -69.81 -28.35 65.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.04 1.291 . . . . 10.0 112.657 169.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.81 -45.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.418 0.687 . . . . 10.0 112.504 169.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 46.3 tp60 -54.6 -47.31 73.54 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.874 2.07 . . . . 10.0 111.594 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -58.36 -45.41 88.26 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.268 1.027 . . . . 10.0 109.984 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.48 -52.25 66.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.278 1.431 . . . . 10.0 114.236 171.737 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.93 -37.23 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.563 1.074 . . . . 10.0 111.303 178.007 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.64 -28.2 65.7 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.739 0.816 . . . . 10.0 111.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -28.76 49.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 120.872 -1.142 . . . . 10.0 111.219 174.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.0 90.36 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.61 -1.306 . . . . 10.0 109.777 167.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.08 -29.95 69.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.591 1.556 . . . . 10.0 113.32 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.97 -30.08 67.66 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.043 1.747 . . . . 10.0 109.314 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -77.6 -44.46 28.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.238 1.415 . . . . 10.0 111.423 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.16 -19.77 61.71 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 120.972 -1.08 . . . . 10.0 111.796 -175.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.43 36.66 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.961 1.705 . . . . 10.0 110.469 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -51.35 8.69 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.604 2.361 . . . . 10.0 116.1 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.6 tttt -141.42 48.18 1.17 Allowed Pre-proline 0 N--CA 1.49 1.526 0 C-N-CA 127.236 2.214 . . . . 10.0 110.058 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.575 6.8 Cg_exo -16.44 -90.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 2 N-CA-C 123.942 4.555 . . . . 10.0 123.942 -165.402 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -75.5 10.13 1.84 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.687 1.131 . . . . 10.0 113.931 -169.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.31 108.02 0.89 Allowed Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 167.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.31 -24.62 37.19 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 N-CA-C 114.679 0.992 . . . . 10.0 114.679 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.72 95.79 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.084 0.856 . . . . 10.0 112.048 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.86 19.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 170.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.92 -34.85 78.89 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 109.74 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.88 -26.91 54.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.811 -1.18 . . . . 10.0 111.974 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.14 80.59 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.504 -0.747 . . . . 10.0 111.129 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.0 t80 -59.9 -54.57 44.56 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.044 0.938 . . . . 10.0 111.627 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.9 pp0? -65.76 -24.01 66.85 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.731 0.777 . . . . 10.0 111.334 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.5 t -66.35 -50.96 61.8 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.591 1.157 . . . . 10.0 111.298 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -67.78 -36.38 80.37 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.914 1.286 . . . . 10.0 112.688 -178.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.41 -38.76 66.61 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 129.048 2.939 . . . . 10.0 110.09 168.594 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -76.07 -42.61 46.94 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.43 -34.52 72.6 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.169 0.895 . . . . 10.0 112.487 175.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 123.849 0.86 . . . . 10.0 110.279 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.7 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -33.89 73.07 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 127.017 2.127 . . . . 10.0 114.016 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.29 -46.14 81.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.962 1.305 . . . . 10.0 110.05 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.74 -46.8 86.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.218 1.807 . . . . 10.0 111.807 169.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HA ' HG22 ' A' ' 64' ' ' THR . 10.8 tp60 -84.23 40.93 0.8 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 124.179 1.942 . . . . 10.0 113.978 172.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 t -140.15 -41.2 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 130.411 3.485 . . . . 10.0 107.697 168.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.29 -50.62 72.95 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.801 1.64 . . . . 10.0 113.46 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.4 t -62.72 -37.91 88.38 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.283 2.233 . . . . 10.0 115.378 176.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 127.586 2.355 . . . . 10.0 109.613 174.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -70.86 4.81 2.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.29 3.036 . . . . 10.0 114.035 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.58 -35.15 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.539 2.736 . . . . 10.0 110.838 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 CA--C 1.56 1.348 0 CA-C-O 122.595 1.188 . . . . 10.0 109.146 166.041 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.438 0.903 . . . . 10.0 113.438 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -64.02 -14.9 57.68 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.776 1.398 . . . . 10.0 114.776 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 3.12 58.49 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.997 1.76 . . . . 10.0 114.503 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -135.44 -13.01 2.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.646 1.978 . . . . 10.0 113.118 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.5 tp -48.68 -46.02 39.75 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.253 2.221 . . . . 10.0 113.187 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -75.56 21.16 0.15 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.923 1.289 . . . . 10.0 114.11 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -131.21 -40.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.894 2.077 . . . . 10.0 110.266 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.09 -50.84 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.711 1.604 . . . . 10.0 112.799 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -78.98 -38.27 37.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 124.854 1.262 . . . . 10.0 111.335 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.35 65.24 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -50.92 -38.23 48.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.918 0.887 . . . . 10.0 111.427 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -58.79 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.863 1.265 . . . . 10.0 111.185 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.23 -22.6 66.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -169.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.28 -32.51 11.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.394 1.078 . . . . 10.0 112.916 171.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 121.046 -1.034 . . . . 10.0 111.962 175.65 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 113.379 0.881 . . . . 10.0 113.379 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -67.75 -26.66 66.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 120.378 1.445 . . . . 10.0 110.816 168.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.27 -46.08 16.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 170.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -56.22 -47.25 78.79 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.506 1.923 . . . . 10.0 111.905 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -58.66 -45.02 90.26 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.647 1.179 . . . . 10.0 109.939 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.56 -52.1 66.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.986 1.314 . . . . 10.0 113.816 172.502 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.1 -38.25 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 119.144 0.884 . . . . 10.0 110.977 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -68.17 -27.33 66.32 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.472 0.709 . . . . 10.0 111.216 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.65 -29.21 40.86 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.003 -1.06 . . . . 10.0 111.328 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.95 95.29 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.649 -1.282 . . . . 10.0 109.179 167.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.16 -29.57 68.48 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.449 1.5 . . . . 10.0 113.3 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.09 -32.43 69.81 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.488 1.949 . . . . 10.0 109.145 171.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -74.0 -44.6 54.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.467 1.107 . . . . 10.0 111.263 169.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.37 -19.77 61.57 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.038 -1.039 . . . . 10.0 111.878 -174.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.62 -23.2 37.17 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.762 1.625 . . . . 10.0 110.344 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.88 8.12 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.792 2.437 . . . . 10.0 116.244 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 65.0 tttt -140.93 48.32 1.28 Allowed Pre-proline 0 N--CA 1.49 1.56 0 C-N-CA 127.151 2.18 . . . . 10.0 110.007 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.9 Cg_exo -15.89 -90.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 2 N-CA-C 123.934 4.552 . . . . 10.0 123.934 -165.56 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.59 10.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.726 1.148 . . . . 10.0 113.937 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.8 107.59 0.79 Allowed Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.09 -23.49 46.03 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 115.819 1.431 . . . . 10.0 115.819 -166.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.98 75.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.895 0.771 . . . . 10.0 112.293 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.14 -41.97 24.39 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.032 0.833 . . . . 10.0 112.978 170.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.96 -44.91 94.76 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 117.755 -1.117 . . . . 10.0 108.616 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.55 -19.83 60.79 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.173 2.26 . . . . 10.0 112.45 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.55 78.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.241 0.928 . . . . 10.0 109.868 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.99 -51.51 68.95 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 121.371 -0.831 . . . . 10.0 109.747 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HA ' HD13 ' A' ' 51' ' ' LEU . 15.1 mm100 -55.12 -32.05 61.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.388 1.075 . . . . 10.0 112.276 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.23 -47.25 36.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.298 1.039 . . . . 10.0 112.544 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 124.099 0.959 . . . . 10.0 112.028 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.61 -42.0 67.26 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 129.063 2.945 . . . . 10.0 109.596 168.325 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.4 m -73.03 -43.94 61.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.899 0.88 . . . . 10.0 112.916 172.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.06 -33.45 73.34 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.328 0.967 . . . . 10.0 112.578 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.388 0 O-C-N 120.997 -1.064 . . . . 10.0 109.779 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 20.4 t80 . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.66 73.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.487 2.315 . . . . 10.0 114.101 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -65.72 -42.68 90.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.529 1.531 . . . . 10.0 110.75 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' HG22 ' A' ' 64' ' ' THR . . . -64.55 -43.11 94.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.379 1.471 . . . . 10.0 111.144 169.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.48 41.58 0.63 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 124.237 1.97 . . . . 10.0 114.091 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t -141.09 -41.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 130.636 3.574 . . . . 10.0 107.743 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.77 -45.81 92.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.931 1.692 . . . . 10.0 114.609 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -68.77 -36.31 78.15 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.817 2.047 . . . . 10.0 115.274 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.3 t -59.77 -45.69 94.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 127.341 2.256 . . . . 10.0 109.421 172.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -68.78 3.73 1.79 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.001 2.92 . . . . 10.0 114.265 169.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 t -116.31 -35.8 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 128.841 2.856 . . . . 10.0 111.619 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 106.825 -1.546 . . . . 10.0 106.825 166.474 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 m0 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -50.16 -22.93 1.88 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.896 2.184 . . . . 10.0 116.896 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.1 -1.43 90.33 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 124.891 1.234 . . . . 10.0 115.393 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.89 -31.15 0.56 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.749 2.02 . . . . 10.0 113.52 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.2 tp -42.52 -48.83 5.38 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 128.699 2.8 . . . . 10.0 113.683 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.25 14.2 0.47 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.19 1.396 . . . . 10.0 114.313 -170.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -139.34 6.88 2.35 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.416 1.486 . . . . 10.0 113.037 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -116.36 -56.25 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 127.094 2.158 . . . . 10.0 110.086 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.9 t -72.02 -44.61 63.13 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.255 1.422 . . . . 10.0 111.828 171.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.05 70.46 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.138 -0.976 . . . . 10.0 112.764 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -63.81 -18.92 64.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.823 2.049 . . . . 10.0 113.214 169.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.95 -23.32 13.36 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.618 1.967 . . . . 10.0 114.766 175.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -40.48 -46.13 2.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 118.42 2.748 . . . . 10.0 118.42 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -86.72 -31.42 20.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.53 0.937 . . . . 10.0 113.53 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.831 0 O-C-N 121.329 -0.857 . . . . 10.0 111.375 177.368 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 113.758 1.022 . . . . 10.0 113.758 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.42 -27.2 65.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 120.25 1.386 . . . . 10.0 112.029 169.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.9 -43.86 19.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.789 0.836 . . . . 10.0 112.755 169.676 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -58.32 -46.6 85.87 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 126.799 2.04 . . . . 10.0 111.615 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.74 -46.39 81.4 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.624 1.17 . . . . 10.0 109.596 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -57.53 -51.74 68.24 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.175 1.39 . . . . 10.0 114.52 172.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.06 -38.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 119.511 1.05 . . . . 10.0 111.132 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 m -67.57 -27.76 67.21 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.545 0.738 . . . . 10.0 111.035 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.47 -28.0 46.4 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.846 -1.159 . . . . 10.0 111.392 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.72 89.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.46 -1.4 . . . . 10.0 109.27 167.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.24 -29.89 69.65 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.42 1.488 . . . . 10.0 113.387 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.83 -31.68 68.7 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.19 1.813 . . . . 10.0 109.277 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -75.74 -44.19 42.99 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.947 1.299 . . . . 10.0 111.25 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -20.04 61.47 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 122.285 1.041 . . . . 10.0 111.795 -175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.88 -23.09 39.26 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.829 1.652 . . . . 10.0 110.445 169.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.03 -53.27 6.56 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.827 2.451 . . . . 10.0 116.322 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' HD21 ' A' ' 43' ' ' LEU . 17.3 ttmm -139.75 49.31 1.89 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 127.442 2.297 . . . . 10.0 109.565 -175.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -17.14 -90.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 2 N-CA-C 123.813 4.505 . . . . 10.0 123.813 -165.61 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.1 p -75.99 10.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.608 1.094 . . . . 10.0 113.763 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -49.07 106.5 0.63 Allowed Pre-proline 0 C--N 1.348 0.526 0 N-CA-C 106.012 -1.847 . . . . 10.0 106.012 167.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -65.79 -24.17 54.7 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 N-CA-C 115.975 1.49 . . . . 10.0 115.975 -166.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.19 -40.13 78.27 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.87 0.759 . . . . 10.0 112.555 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.26 -42.37 23.3 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 10.0 113.019 170.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.78 -44.25 96.68 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 117.732 -1.128 . . . . 10.0 108.589 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.64 -19.81 60.75 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 122.217 2.281 . . . . 10.0 112.585 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.57 76.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.315 0.962 . . . . 10.0 109.776 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.92 -51.94 66.08 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.631 0.772 . . . . 10.0 109.506 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.5 mm100 -54.31 -31.34 53.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.533 1.133 . . . . 10.0 112.43 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.5 -50.01 19.87 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.245 1.018 . . . . 10.0 112.563 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.47 -34.73 77.77 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.915 0.886 . . . . 10.0 112.099 -179.092 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.43 -41.51 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 129.036 2.934 . . . . 10.0 110.072 168.539 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 m -74.68 -42.87 57.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -59.85 -35.42 74.72 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.184 0.902 . . . . 10.0 112.592 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 124.246 1.018 . . . . 10.0 110.431 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.6 t80 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -33.49 71.25 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 127.651 2.38 . . . . 10.0 114.426 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -65.72 -44.12 87.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.415 1.486 . . . . 10.0 110.096 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.46 86.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.995 1.718 . . . . 10.0 111.579 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.0 tp60 -82.51 38.72 0.57 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.742 1.734 . . . . 10.0 114.071 169.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.2 t -139.32 -36.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 130.314 3.446 . . . . 10.0 108.537 168.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.87 -53.06 60.97 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.542 1.537 . . . . 10.0 113.378 173.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 61' ' ' GLN . 11.1 t -59.82 -36.8 77.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.854 2.062 . . . . 10.0 114.896 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -61.62 -47.82 91.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 127.656 2.382 . . . . 10.0 109.783 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -69.47 5.12 1.46 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 128.046 2.538 . . . . 10.0 114.038 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.64 -35.97 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 128.429 2.691 . . . . 10.0 111.526 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 106.79 -1.559 . . . . 10.0 106.79 166.552 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 114.263 1.209 . . . . 10.0 114.263 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -56.68 -20.86 23.82 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.61 1.707 . . . . 10.0 115.61 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.53 0.5 68.08 Favored Glycine 0 CA--C 1.542 1.739 0 C-N-CA 125.127 1.346 . . . . 10.0 115.259 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -138.88 -12.74 1.26 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.242 2.217 . . . . 10.0 114.212 -169.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.84 -53.13 27.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.555 2.342 . . . . 10.0 114.604 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.48 16.49 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -169.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -130.89 -35.75 1.4 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.961 1.704 . . . . 10.0 111.823 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.83 -50.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 126.391 1.876 . . . . 10.0 112.4 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -78.88 -39.08 36.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 125.477 1.511 . . . . 10.0 111.952 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -29.93 71.11 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.133 -0.979 . . . . 10.0 112.836 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.65 -16.83 52.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.895 2.478 . . . . 10.0 113.697 169.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -22.93 9.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.144 2.178 . . . . 10.0 114.5 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -38.66 -62.17 0.64 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.826 2.45 . . . . 10.0 116.874 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -72.83 -28.27 62.44 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.308 -0.87 . . . . 10.0 113.153 -169.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 C-N-CA 123.751 0.691 . . . . 10.0 111.773 177.433 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.444 -0.727 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.83 -24.86 63.52 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.452 1.478 . . . . 10.0 113.634 169.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -87.88 -47.22 8.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 113.103 173.119 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -54.44 -46.8 73.34 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 126.788 2.035 . . . . 10.0 111.82 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -53.95 -45.29 71.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.886 1.675 . . . . 10.0 110.078 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -60.58 -52.51 64.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.516 1.526 . . . . 10.0 114.639 173.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.9 -36.8 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 119.56 1.073 . . . . 10.0 111.004 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -71.2 -28.02 63.92 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.372 1.069 . . . . 10.0 111.162 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.77 -29.24 44.97 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 121.005 -1.059 . . . . 10.0 111.006 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.77 92.18 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.645 -1.285 . . . . 10.0 109.644 167.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.08 -29.95 68.16 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.863 1.665 . . . . 10.0 113.19 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.47 -31.7 68.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.362 1.892 . . . . 10.0 109.104 171.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.51 -44.48 43.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.632 1.173 . . . . 10.0 111.55 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.11 -20.09 61.01 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.934 -1.104 . . . . 10.0 111.687 -174.805 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 -23.92 39.52 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.717 1.607 . . . . 10.0 110.06 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -55.74 4.6 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.437 2.295 . . . . 10.0 115.933 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.85 68.33 57.98 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 126.766 2.027 . . . . 10.0 109.484 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.445 4.2 Cg_exo -35.09 -79.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.489 3.996 . . . . 10.0 122.489 -166.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -82.0 12.45 4.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.876 1.216 . . . . 10.0 113.423 -170.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -52.82 108.87 1.2 Allowed Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 105.588 -2.004 . . . . 10.0 105.588 167.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.48 -23.76 37.08 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 CA-C-N 119.804 0.966 . . . . 10.0 114.479 -167.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.62 95.29 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.012 0.824 . . . . 10.0 112.081 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.51 -43.53 20.63 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.087 1.143 . . . . 10.0 114.087 171.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.89 -33.98 77.3 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.627 1.103 . . . . 10.0 109.923 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.05 -28.05 54.6 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 119.89 1.223 . . . . 10.0 111.83 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.14 81.72 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.391 -0.818 . . . . 10.0 111.333 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.7 t80 -60.72 -55.33 34.5 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 123.843 0.857 . . . . 10.0 111.497 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.772 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.7 pp0? -66.18 -24.2 66.59 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.864 0.84 . . . . 10.0 111.287 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -67.1 -50.99 59.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.913 1.285 . . . . 10.0 111.378 169.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.2 -36.53 81.93 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.464 1.106 . . . . 10.0 112.586 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.772 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.09 -36.74 63.51 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.487 3.115 . . . . 10.0 110.577 168.727 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -78.13 -42.92 30.33 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 10.0 112.873 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.01 -32.74 69.98 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.099 0.863 . . . . 10.0 112.615 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 C-N-CA 124.477 1.111 . . . . 10.0 111.21 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.2 t80 . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 107.854 -1.165 . . . . 10.0 107.854 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -40.3 95.1 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.827 2.451 . . . . 10.0 112.896 175.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.83 -46.02 76.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.519 1.528 . . . . 10.0 111.6 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.9 89.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.812 1.645 . . . . 10.0 111.183 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.2 tp-100 -78.66 30.97 0.19 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.296 1.838 . . . . 10.0 114.5 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.1 t -143.43 13.63 1.78 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.584 3.153 . . . . 10.0 110.577 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -125.01 -48.18 1.76 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.11 2.564 . . . . 10.0 111.183 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' GLN . 15.2 t -56.53 -33.88 66.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 123.889 1.804 . . . . 10.0 113.576 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.7 t -55.1 -37.61 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 129.251 3.02 . . . . 10.0 112.033 171.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -91.61 9.27 32.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.303 3.041 . . . . 10.0 112.912 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.7 t -117.08 -35.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 128.897 2.879 . . . . 10.0 111.37 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.647 -1.242 . . . . 10.0 107.647 166.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.031 0.443 . . . . 10.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -152.27 -36.01 0.12 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.233 1.413 . . . . 10.0 112.544 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.96 26.66 18.54 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.835 1.684 . . . . 10.0 113.902 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -146.06 -56.93 0.29 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.54 . . . . 10.0 112.266 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.48 -32.67 67.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.581 1.952 . . . . 10.0 112.924 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.69 3.17 1.51 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -123.06 2.03 9.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.014 1.726 . . . . 10.0 112.847 170.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.84 -49.4 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 127.801 2.44 . . . . 10.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -73.29 -39.15 65.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 123.698 0.799 . . . . 10.0 111.351 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.56 66.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.907 -1.121 . . . . 10.0 113.737 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.08 -45.92 75.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.251 1.42 . . . . 10.0 110.677 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -51.02 67.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.086 0.954 . . . . 10.0 110.554 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.79 -25.17 66.36 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -170.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -95.15 -27.1 15.73 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.835 1.05 . . . . 10.0 113.835 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.989 0 CA-C-N 118.892 0.769 . . . . 10.0 111.971 175.533 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 113.906 1.076 . . . . 10.0 113.906 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -70.32 -27.74 64.62 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.407 1.458 . . . . 10.0 112.023 168.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.77 -44.84 17.96 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.509 0.724 . . . . 10.0 112.212 169.503 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -56.86 -46.44 81.79 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 126.55 1.94 . . . . 10.0 111.902 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -57.63 -45.99 84.73 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.166 0.987 . . . . 10.0 109.852 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.72 -51.13 71.26 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.238 1.415 . . . . 10.0 114.338 173.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.33 -38.46 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.296 0.953 . . . . 10.0 110.581 176.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.9 m -68.51 -27.54 66.21 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.598 -0.689 . . . . 10.0 111.323 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 -30.17 45.14 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.798 -1.189 . . . . 10.0 111.242 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.11 95.65 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.629 -1.294 . . . . 10.0 109.152 167.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.18 -30.26 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.548 1.539 . . . . 10.0 113.573 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -31.76 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 120.892 1.678 . . . . 10.0 109.307 172.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -75.82 -44.06 43.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.44 1.096 . . . . 10.0 110.714 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.5 -19.76 60.84 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.696 -1.252 . . . . 10.0 112.153 -172.791 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.54 -20.12 44.19 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 126.051 1.74 . . . . 10.0 110.195 169.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.72 -53.63 5.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.27 2.228 . . . . 10.0 115.614 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' HD21 ' A' ' 43' ' ' LEU . 61.3 tttt -141.35 48.03 1.15 Allowed Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 126.205 1.802 . . . . 10.0 111.104 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HB3' HD23 ' A' ' 34' ' ' LEU 0.446 2.9 Cg_exo -19.06 -93.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.516 -0.395 1 C-N-CA 126.81 5.007 . . . . 10.0 121.865 -166.85 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.327 15.1 p -75.09 26.36 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 121.223 1.829 . . . . 10.0 114.586 -173.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.98 92.82 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.177 1 N-CA-C 96.638 -5.319 . . . . 10.0 96.638 162.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.723 ' HA ' HD22 ' A' ' 44' ' ' LEU . 88.9 Cg_endo -67.06 -5.23 13.09 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 120.842 1.028 . . . . 10.0 113.716 -165.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.66 -51.84 8.74 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.63 1.172 . . . . 10.0 111.176 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.3 pp -67.98 -41.22 82.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.808 1.185 . . . . 10.0 109.838 168.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' ' 45' ' ' ALA 0.359 0.2 OUTLIER -60.22 -46.15 90.76 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.104 -1.427 . . . . 10.0 107.91 178.505 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.859 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.3 -18.8 57.23 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 123.582 2.901 . . . . 10.0 109.286 -167.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.24 82.34 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 167.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 35.8 t80 -64.61 -54.35 33.32 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.147 -0.97 . . . . 10.0 109.981 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 51' ' ' LEU . 25.9 mm100 -55.15 -26.2 37.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.02 1.328 . . . . 10.0 111.599 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -77.65 -54.15 6.71 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.237 2.215 . . . . 10.0 112.826 171.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.32 -35.34 80.06 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.531 1.132 . . . . 10.0 112.384 -178.105 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -52.52 -42.77 64.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 130.287 3.435 . . . . 10.0 110.651 168.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -77.09 -42.04 39.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.969 0.907 . . . . 10.0 112.86 172.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.33 -31.75 69.46 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.67 0.788 . . . . 10.0 112.069 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 124.451 1.101 . . . . 10.0 110.611 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.3 t80 . . . . . 0 CA--C 1.544 0.75 0 N-CA-C 107.966 -1.124 . . . . 10.0 107.966 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.9 92.04 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.189 2.195 . . . . 10.0 111.783 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -65.96 -45.93 79.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.491 1.516 . . . . 10.0 111.635 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.34 90.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.851 1.66 . . . . 10.0 110.744 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.7 tp60 -75.66 24.01 0.12 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.258 1.823 . . . . 10.0 115.054 169.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -141.09 12.26 2.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.46 2.704 . . . . 10.0 110.938 168.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -122.08 -49.07 2.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 127.942 2.497 . . . . 10.0 110.232 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -49.34 -41.97 40.35 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.766 2.027 . . . . 10.0 112.786 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.77 -25.37 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 131.045 3.738 . . . . 10.0 113.851 172.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -119.77 12.04 12.06 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.712 3.605 . . . . 10.0 112.157 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 5.3 t -110.01 -27.98 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 129.302 3.041 . . . . 10.0 109.859 172.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 124.192 1.948 . . . . 10.0 109.888 167.339 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 115.345 1.609 . . . . 10.0 115.345 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -56.63 -26.89 57.17 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.026 1.739 . . . . 10.0 113.423 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 1.8 44.87 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 116.286 1.274 . . . . 10.0 116.286 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -148.08 -53.63 0.2 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.516 1.658 . . . . 10.0 113.921 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.34 -35.56 70.07 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.294 1.838 . . . . 10.0 112.533 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.6 3.51 1.36 Allowed 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.51 5.04 6.85 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.162 1.785 . . . . 10.0 112.788 170.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.84 -41.72 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 128.098 2.559 . . . . 10.0 111.812 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -80.75 -43.5 20.11 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.493 1.117 . . . . 10.0 111.016 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.9 66.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -49.34 -48.74 46.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.337 1.855 . . . . 10.0 110.913 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -53.12 42.16 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.345 1.058 . . . . 10.0 111.203 169.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.1 -25.08 66.71 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.701 1.741 . . . . 10.0 115.701 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -95.4 -33.62 12.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.045 0.938 . . . . 10.0 113.483 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 120.937 -1.102 . . . . 10.0 111.809 175.354 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.45 -27.1 64.95 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.096 1.316 . . . . 10.0 111.596 168.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.53 -45.45 17.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.174 0.59 . . . . 10.0 112.232 169.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -56.46 -47.15 79.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 126.551 1.94 . . . . 10.0 112.047 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -57.29 -46.06 83.5 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.434 1.094 . . . . 10.0 109.843 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.67 -51.5 69.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.446 1.498 . . . . 10.0 114.273 173.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.08 -38.77 83.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 119.336 0.971 . . . . 10.0 110.546 176.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -68.7 -27.26 65.8 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.466 -0.772 . . . . 10.0 111.401 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.94 -30.28 44.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.708 -1.245 . . . . 10.0 111.096 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.09 95.95 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.64 -1.288 . . . . 10.0 109.134 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.11 -31.0 71.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.793 1.637 . . . . 10.0 113.697 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -31.31 69.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.778 1.626 . . . . 10.0 109.427 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.4 mmtt -75.98 -41.98 49.69 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.328 1.051 . . . . 10.0 110.985 169.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -71.13 -39.62 71.89 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 120.33 -1.481 . . . . 10.0 110.711 -171.505 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.1 44.18 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.573 1.549 . . . . 10.0 111.244 169.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -81.96 -59.86 2.43 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.083 2.153 . . . . 10.0 115.774 169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.8 tmtt? -136.15 77.96 47.5 Favored Pre-proline 0 N--CA 1.488 1.441 0 C-N-CA 126.17 1.788 . . . . 10.0 108.951 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HB3' HD23 ' A' ' 34' ' ' LEU . 10.1 Cg_endo -63.06 -20.19 70.78 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 121.369 3.565 . . . . 10.0 121.369 -166.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.33 85.4 p -126.8 49.96 2.0 Allowed 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 125.095 2.379 . . . . 10.0 113.139 169.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.05 83.43 0.23 Allowed Pre-proline 0 N--CA 1.441 -0.885 1 N-CA-C 92.927 -6.694 . . . . 10.0 92.927 162.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HA ' HD22 ' A' ' 44' ' ' LEU . 74.4 Cg_endo -62.38 -4.44 5.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 121.494 1.463 . . . . 10.0 112.814 -167.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.14 5.79 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.81 1.644 . . . . 10.0 111.831 170.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.2 pp -64.41 -41.5 96.59 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.906 1.685 . . . . 10.0 109.433 168.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 45' ' ' ALA 0.397 0.2 OUTLIER -61.71 -45.48 93.78 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.188 -1.386 . . . . 10.0 108.26 179.722 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.837 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.08 -18.71 57.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 123.626 2.921 . . . . 10.0 108.842 -168.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.65 82.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 167.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 39.4 t80 -64.6 -54.2 35.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 121.172 -0.955 . . . . 10.0 109.792 168.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HA ' HD13 ' A' ' 51' ' ' LEU . 21.9 mm100 -55.31 -24.43 28.77 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.955 1.302 . . . . 10.0 111.572 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -79.79 -53.46 6.77 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 127.82 2.448 . . . . 10.0 113.028 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.9 -34.15 77.32 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.623 1.169 . . . . 10.0 112.477 -178.433 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -53.0 -44.37 67.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 130.328 3.451 . . . . 10.0 110.391 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.4 m -75.47 -41.4 55.7 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.55 -33.51 71.5 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.255 0.934 . . . . 10.0 112.156 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 C-N-CA 124.358 1.063 . . . . 10.0 110.389 175.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.437 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 10.5 t80 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.835 -1.172 . . . . 10.0 107.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -39.66 92.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.601 2.361 . . . . 10.0 112.722 174.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.55 -43.42 80.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.255 1.422 . . . . 10.0 111.435 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.61 -40.49 95.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.818 1.647 . . . . 10.0 110.795 171.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.86 25.48 0.15 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.505 2.322 . . . . 10.0 113.362 168.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -147.52 23.58 1.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 129.02 2.928 . . . . 10.0 109.578 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.63 -51.27 1.26 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.777 2.431 . . . . 10.0 110.049 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 60' ' ' ALA . 12.0 t -49.15 -44.41 42.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.686 1.995 . . . . 10.0 113.772 169.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.25 -26.82 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 130.64 3.576 . . . . 10.0 113.852 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.41 14.85 13.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 130.584 3.554 . . . . 10.0 111.988 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.82 -32.5 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 C-N-CA 129.693 3.197 . . . . 10.0 110.06 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 CA--C 1.556 1.196 0 N-CA-C 107.184 -1.413 . . . . 10.0 107.184 166.12 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.12 160.71 43.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.205 1.479 . . . . 10.0 113.204 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.6 p -82.16 148.03 58.87 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 112.405 -2.179 . . . . 10.0 109.383 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 17.1 Cg_exo -64.9 135.46 44.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 120.7 0.933 . . . . 10.0 113.509 -172.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -57.76 -28.07 63.62 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -62.62 -20.37 64.7 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.363 1.245 . . . . 10.0 114.363 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.07 -7.14 74.24 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.711 1.148 . . . . 10.0 114.469 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -138.91 15.39 2.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.291 2.237 . . . . 10.0 112.586 -171.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -53.95 -44.33 70.6 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.944 1.697 . . . . 10.0 113.0 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -75.11 19.31 0.16 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.334 1.054 . . . . 10.0 113.829 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.35 -41.37 1.24 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.276 2.23 . . . . 10.0 110.617 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.79 -50.75 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 126.051 1.74 . . . . 10.0 112.516 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.2 t -74.89 -37.79 62.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.882 0.873 . . . . 10.0 110.653 169.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -14.81 27.31 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.03 -33.7 39.82 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.948 1.299 . . . . 10.0 112.253 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -39.2 85.74 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.81 1.644 . . . . 10.0 111.885 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.88 -15.75 63.22 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -169.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -106.02 -27.37 11.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.111 1.364 . . . . 10.0 113.688 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.17 -40.39 50.27 Favored Glycine 0 N--CA 1.472 1.036 0 O-C-N 120.884 -1.135 . . . . 10.0 112.23 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.32 -38.02 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 C-N-CA 124.449 1.1 . . . . 10.0 111.893 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.65 -21.6 63.53 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -69.91 -27.33 64.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.125 1.33 . . . . 10.0 111.433 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -43.98 18.87 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.857 0.863 . . . . 10.0 112.551 169.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.11 -47.1 84.29 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.937 1.695 . . . . 10.0 111.83 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -56.75 -44.79 82.07 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.454 1.102 . . . . 10.0 109.663 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.95 -52.08 67.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.114 1.366 . . . . 10.0 114.488 173.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -63.55 -37.75 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 119.461 1.028 . . . . 10.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 m -69.65 -27.87 65.41 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 123.763 0.825 . . . . 10.0 111.504 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.75 -29.59 40.57 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.696 -1.253 . . . . 10.0 111.019 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.13 93.55 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.702 -1.249 . . . . 10.0 109.414 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.69 -30.09 68.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.654 1.582 . . . . 10.0 113.312 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.37 -31.7 67.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 121.353 1.888 . . . . 10.0 109.367 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -75.22 -44.42 46.37 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.642 1.177 . . . . 10.0 111.381 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.11 -19.73 61.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.041 -1.037 . . . . 10.0 111.792 -175.378 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.82 -23.14 36.66 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 125.762 1.625 . . . . 10.0 110.526 169.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.8 -52.41 7.53 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.775 2.43 . . . . 10.0 116.222 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 42.7 tttp -139.79 48.03 1.44 Allowed Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.412 2.285 . . . . 10.0 109.93 -176.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.571 7.1 Cg_exo -16.03 -91.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 2 N-CA-C 123.912 4.543 . . . . 10.0 123.912 -165.542 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.2 p -74.91 9.47 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -48.47 107.24 0.72 Allowed Pre-proline 0 C--N 1.347 0.49 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 167.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.57 -24.29 42.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 114.706 1.002 . . . . 10.0 114.706 -167.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.68 95.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.036 0.834 . . . . 10.0 112.058 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.59 20.37 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.158 1.17 . . . . 10.0 114.158 170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -35.0 79.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.754 1.161 . . . . 10.0 109.698 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.9 -26.86 54.63 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.788 -1.195 . . . . 10.0 111.918 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.68 80.42 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.612 -0.68 . . . . 10.0 111.092 169.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.7 t80 -60.03 -54.99 39.47 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.205 1.002 . . . . 10.0 111.65 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.5 pp0? -65.96 -24.33 66.78 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.768 0.794 . . . . 10.0 111.241 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -65.91 -52.0 53.73 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.617 1.167 . . . . 10.0 110.851 169.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.1 -37.1 84.93 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.887 1.275 . . . . 10.0 112.617 -177.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.2 -38.42 62.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.432 3.093 . . . . 10.0 110.889 168.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -79.66 -40.81 28.28 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.889 0.876 . . . . 10.0 113.229 170.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.64 -32.75 69.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.125 0.875 . . . . 10.0 112.15 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -37.78 79.49 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.477 1.111 . . . . 10.0 110.788 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -27.23 64.75 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 121.452 -0.78 . . . . 10.0 111.913 169.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.94 -34.65 69.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.488 1.515 . . . . 10.0 111.457 169.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 5.9 t80 -57.42 -43.08 83.53 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.09 90.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.022 2.129 . . . . 10.0 112.552 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.19 -43.47 78.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.424 1.49 . . . . 10.0 111.95 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.36 -37.28 82.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.733 1.613 . . . . 10.0 111.045 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.02 22.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.581 2.353 . . . . 10.0 113.78 169.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 t -142.29 16.73 2.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.102 2.561 . . . . 10.0 110.303 168.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -122.88 -50.39 1.95 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 128.048 2.539 . . . . 10.0 110.321 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.9 t -49.33 -43.49 43.69 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.609 1.963 . . . . 10.0 113.263 169.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.7 t -54.35 -25.64 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 130.803 3.641 . . . . 10.0 113.846 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -116.18 11.79 15.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 130.539 3.536 . . . . 10.0 112.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.78 -33.05 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 129.187 2.995 . . . . 10.0 110.824 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -58.19 -31.43 67.3 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -55.98 -36.65 68.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.639 2.775 . . . . 10.0 112.091 167.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -32.01 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.952 1.701 . . . . 10.0 112.625 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.28 -44.76 94.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 107.766 -1.198 . . . . 10.0 107.766 168.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.5 -28.71 69.39 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.096 -1.003 . . . . 10.0 113.526 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.19 67.32 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.913 -1.117 . . . . 10.0 111.049 168.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.8 86.01 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.465 -1.397 . . . . 10.0 111.752 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -40.91 83.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 126.722 2.009 . . . . 10.0 110.085 169.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.35 -46.92 87.31 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.704 1.602 . . . . 10.0 111.559 173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.77 -34.23 77.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.154 0.982 . . . . 10.0 112.911 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.39 -35.6 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.063 0.945 . . . . 10.0 112.061 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.02 -38.15 89.97 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.674 -0.641 . . . . 10.0 112.187 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.5 -39.36 81.29 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.41 -0.807 . . . . 10.0 112.276 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -63.4 -14.02 45.9 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.634 1.573 . . . . 10.0 114.03 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -63.39 -21.21 66.15 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.558 1.143 . . . . 10.0 113.602 171.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.989 1.716 . . . . 10.0 113.388 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 111.138 0.051 . . . . 10.0 111.138 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.49 162.28 35.53 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 123.804 1.764 . . . . 10.0 113.771 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -83.21 166.66 33.84 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-N 111.316 -2.675 . . . . 10.0 105.639 165.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -52.79 -2.68 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.089 0 N-CA-C 121.253 3.52 . . . . 10.0 121.253 -169.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 -57.15 -21.91 36.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.836 1.653 . . . . 10.0 113.186 168.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -56.92 -22.6 38.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 171.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.52 -3.2 75.16 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.19 1.376 . . . . 10.0 114.819 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.94 7.05 2.69 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.931 2.092 . . . . 10.0 113.204 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 13' ' ' SER . 61.8 tp -53.48 -48.17 69.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.339 1.455 . . . . 10.0 113.492 -169.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 19.78 0.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -130.69 -45.1 1.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.996 2.118 . . . . 10.0 110.2 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.54 -48.99 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 126.274 1.829 . . . . 10.0 112.617 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 9' ' ' LEU . 29.3 t -73.89 -48.18 32.74 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.123 169.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -21.84 14.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -50.28 -27.69 6.53 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.731 1.612 . . . . 10.0 113.622 169.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -70.48 -19.64 62.93 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.4 3.08 . . . . 10.0 116.71 -178.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.67 -28.96 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 119.765 3.246 . . . . 10.0 119.765 -167.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -101.23 -21.95 14.77 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.243 1.383 . . . . 10.0 114.433 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.46 -39.45 6.32 Favored Glycine 0 N--CA 1.472 1.069 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -54.71 -37.51 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 123.854 0.862 . . . . 10.0 110.514 169.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.24 -22.91 65.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -70.58 -27.04 63.82 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.083 1.31 . . . . 10.0 112.128 169.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -82.18 -44.01 16.95 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.825 0.85 . . . . 10.0 112.322 169.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -57.56 -46.48 83.88 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.578 1.951 . . . . 10.0 111.767 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.68 -45.85 81.49 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.478 1.111 . . . . 10.0 109.808 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.88 -51.82 68.39 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.222 1.409 . . . . 10.0 114.453 173.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.29 -37.8 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 119.475 1.034 . . . . 10.0 111.042 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -68.45 -27.4 66.14 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 123.438 0.695 . . . . 10.0 111.34 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.67 -29.17 40.79 Favored 'General case' 0 N--CA 1.442 -0.84 0 O-C-N 120.822 -1.174 . . . . 10.0 111.368 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.79 94.78 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.69 -1.256 . . . . 10.0 109.161 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.93 -29.85 69.02 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.508 1.523 . . . . 10.0 113.225 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.12 -31.87 69.33 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.396 1.907 . . . . 10.0 109.231 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -74.74 -44.58 49.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.728 1.211 . . . . 10.0 111.228 169.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -19.74 61.65 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 122.227 1.013 . . . . 10.0 111.828 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.58 36.62 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.869 1.667 . . . . 10.0 110.435 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -52.92 6.94 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.772 2.429 . . . . 10.0 116.12 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.5 tttt -140.05 48.3 1.46 Allowed Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 127.304 2.242 . . . . 10.0 110.041 -176.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.572 7.1 Cg_exo -16.0 -90.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 2 N-CA-C 123.843 4.517 . . . . 10.0 123.843 -165.53 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.84 10.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.985 1.106 . . . . 10.0 113.985 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.79 107.42 0.76 Allowed Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.646 -1.983 . . . . 10.0 105.646 167.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.13 -22.93 46.46 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 N-CA-C 115.785 1.417 . . . . 10.0 115.785 -166.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.18 74.1 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.871 0.76 . . . . 10.0 112.282 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.15 -41.95 24.39 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.119 0.872 . . . . 10.0 113.113 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.98 -44.57 95.66 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 117.746 -1.121 . . . . 10.0 108.543 179.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.82 60.52 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 122.198 2.272 . . . . 10.0 112.451 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.82 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.365 0.984 . . . . 10.0 109.636 168.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -61.34 -51.03 70.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 123.897 0.879 . . . . 10.0 110.014 168.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' HA ' HD13 ' A' ' 51' ' ' LEU . 13.3 mm100 -55.19 -31.4 61.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.357 1.063 . . . . 10.0 112.052 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -72.79 -50.91 21.29 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.318 1.047 . . . . 10.0 111.966 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -65.77 -35.65 81.32 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 124.312 1.045 . . . . 10.0 112.33 -177.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -54.19 -38.05 65.2 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.536 3.134 . . . . 10.0 111.048 168.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -80.07 -41.12 26.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.69 0.796 . . . . 10.0 112.779 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.93 -33.24 70.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.048 0.84 . . . . 10.0 112.155 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -34.91 76.3 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.5 1.12 . . . . 10.0 110.744 176.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -24.92 60.82 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.504 -0.748 . . . . 10.0 111.517 169.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.43 -34.56 67.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.461 1.504 . . . . 10.0 111.169 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CD1' HG23 ' A' ' 20' ' ' VAL . 1.2 t80 -57.22 -43.41 82.81 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.79 -1.189 . . . . 10.0 107.79 168.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.06 93.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.379 2.271 . . . . 10.0 112.526 174.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.93 -42.96 80.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.494 1.518 . . . . 10.0 111.864 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.64 -37.71 82.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.802 1.641 . . . . 10.0 110.656 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -76.19 27.11 0.12 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.666 2.387 . . . . 10.0 113.741 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t -144.83 12.95 1.47 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.695 2.798 . . . . 10.0 110.378 168.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -121.49 -51.07 2.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.209 2.604 . . . . 10.0 110.294 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.3 t -50.38 -43.36 54.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.597 1.959 . . . . 10.0 113.164 169.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.0 t -52.17 -28.61 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 130.502 3.521 . . . . 10.0 113.584 171.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -113.98 12.65 18.08 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 130.454 3.502 . . . . 10.0 112.334 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.65 -34.04 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 C-N-CA 129.157 2.983 . . . . 10.0 110.841 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -58.88 -31.88 68.99 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -54.51 -33.7 60.39 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 128.259 2.624 . . . . 10.0 112.098 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -32.21 40.15 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.809 1.644 . . . . 10.0 112.843 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.48 -44.22 90.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-O 122.164 0.983 . . . . 10.0 108.404 168.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.66 -34.26 77.8 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.545 1.138 . . . . 10.0 113.242 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.45 71.54 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.974 -1.079 . . . . 10.0 111.162 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 -34.95 75.02 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.06 -1.025 . . . . 10.0 112.315 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.84 -39.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.322 1.049 . . . . 10.0 110.094 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.73 -50.36 74.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.397 1.079 . . . . 10.0 111.434 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -55.2 -35.84 65.28 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.57 1.077 . . . . 10.0 112.802 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -62.05 -9.88 8.5 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.533 1.533 . . . . 10.0 114.399 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -126.73 -25.56 3.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -64.94 -15.51 62.22 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.035 -1.041 . . . . 10.0 113.164 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.61 -21.82 4.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.653 1.581 . . . . 10.0 113.898 171.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.14 -24.57 67.95 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.007 1.323 . . . . 10.0 114.494 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.1 t60 . . . . . 0 C--O 1.255 1.354 0 C-N-CA 125.608 1.563 . . . . 10.0 113.359 -179.157 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.4 155.73 40.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 123.369 1.557 . . . . 10.0 114.303 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 p -78.77 149.3 74.04 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-N 111.878 -2.419 . . . . 10.0 109.432 168.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -68.0 110.74 2.25 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.739 1.626 . . . . 10.0 110.059 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -47.36 -50.04 23.12 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 115.055 1.502 . . . . 10.0 115.055 -168.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -66.46 -5.44 11.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.73 1.381 . . . . 10.0 114.73 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 13.92 9.63 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.162 1.839 . . . . 10.0 114.43 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -148.98 -36.57 0.17 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.101 1.45 . . . . 10.0 114.674 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.69 -40.08 65.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.414 1.886 . . . . 10.0 112.594 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.43 -12.82 16.1 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.93 -13.4 15.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.077 1.351 . . . . 10.0 113.525 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -97.72 -51.32 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.601 2.361 . . . . 10.0 111.784 -176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.62 -38.87 90.66 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.403 1.081 . . . . 10.0 111.064 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.73 61.89 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.341 0.867 . . . . 10.0 113.341 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -56.68 -45.95 81.45 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.917 -1.115 . . . . 10.0 110.991 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -5.59 1.46 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.588 2.355 . . . . 10.0 114.415 170.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -121.26 -5.34 9.42 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.35 2.26 . . . . 10.0 114.883 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 t -138.93 -31.83 0.7 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.297 1.591 . . . . 10.0 115.297 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.81 -31.26 49.82 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 109.004 -1.638 . . . . 10.0 109.004 168.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -51.05 -36.48 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 C-N-CA 125.908 1.683 . . . . 10.0 111.83 168.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.05 -19.88 64.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.061 0.944 . . . . 10.0 113.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.94 -28.64 64.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.0 1.273 . . . . 10.0 111.551 168.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -44.68 17.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.571 0.748 . . . . 10.0 112.157 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.68 -45.23 81.85 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.756 1.622 . . . . 10.0 111.903 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t -58.92 -45.05 91.29 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.071 0.948 . . . . 10.0 110.036 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.24 -52.08 66.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.194 1.397 . . . . 10.0 114.067 171.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.21 -37.58 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.438 1.017 . . . . 10.0 111.237 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 m -68.97 -27.71 65.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.445 0.698 . . . . 10.0 111.228 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.2 -28.74 42.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.721 -1.237 . . . . 10.0 111.237 174.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.75 92.03 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.625 -1.297 . . . . 10.0 109.403 167.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.98 -29.4 67.6 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.759 1.624 . . . . 10.0 113.345 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.76 -31.42 68.34 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.299 1.863 . . . . 10.0 109.238 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.91 -44.39 40.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.963 1.305 . . . . 10.0 111.278 169.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.09 -19.65 61.78 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.086 -1.009 . . . . 10.0 111.898 -175.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.58 -23.11 34.58 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 125.915 1.686 . . . . 10.0 110.451 169.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 -51.74 8.32 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.775 2.43 . . . . 10.0 116.094 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -140.76 47.46 1.11 Allowed Pre-proline 0 N--CA 1.489 1.516 0 C-N-CA 127.377 2.271 . . . . 10.0 109.748 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.566 7.5 Cg_exo -16.2 -90.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 2 N-CA-C 123.897 4.537 . . . . 10.0 123.897 -165.481 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.45 10.62 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 119.516 1.053 . . . . 10.0 113.802 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -49.48 106.85 0.68 Allowed Pre-proline 0 C--N 1.347 0.488 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 167.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.99 -24.54 45.39 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 N-CA-C 114.917 1.084 . . . . 10.0 114.917 -167.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.31 95.22 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.889 0.768 . . . . 10.0 112.122 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.46 -42.99 21.63 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.19 -34.66 78.6 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.701 1.137 . . . . 10.0 109.892 -179.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.12 56.71 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.858 1.208 . . . . 10.0 111.764 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.96 81.91 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.152 0.887 . . . . 10.0 111.313 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.8 t80 -61.1 -55.17 35.65 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.21 -0.931 . . . . 10.0 111.535 170.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.75 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.254 0.1 OUTLIER -66.35 -21.63 66.25 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.758 0.661 . . . . 10.0 111.463 -176.348 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -69.21 -52.78 24.37 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 125.297 1.439 . . . . 10.0 110.744 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -64.8 -37.26 87.0 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 125.037 1.335 . . . . 10.0 112.66 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.8 -38.14 60.81 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 129.551 3.14 . . . . 10.0 111.114 169.2 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -80.13 -41.25 25.79 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 123.581 0.752 . . . . 10.0 112.955 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.38 -32.63 67.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.073 0.851 . . . . 10.0 112.184 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -37.94 76.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.526 1.13 . . . . 10.0 111.109 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.35 -28.05 64.83 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.728 -0.607 . . . . 10.0 112.167 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.88 -36.51 72.81 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.127 1.771 . . . . 10.0 111.545 169.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -56.68 -43.89 80.89 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.694 -1.224 . . . . 10.0 107.694 168.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -38.0 84.91 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.661 2.384 . . . . 10.0 112.741 174.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -69.39 -45.6 68.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.691 1.597 . . . . 10.0 112.213 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.1 82.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.718 1.607 . . . . 10.0 110.965 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 64' ' ' THR . 29.5 tp60 -78.44 30.48 0.19 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.539 1.936 . . . . 10.0 114.229 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.7 t -145.48 18.22 1.51 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.683 3.193 . . . . 10.0 110.362 168.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -130.41 -47.29 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.996 2.519 . . . . 10.0 111.444 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -54.69 -37.35 65.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.997 1.719 . . . . 10.0 113.17 168.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.93 -25.81 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 130.694 3.598 . . . . 10.0 113.483 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -120.0 12.15 11.9 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.624 3.57 . . . . 10.0 111.928 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 t -113.3 -31.05 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 130.221 3.409 . . . . 10.0 110.385 169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -56.47 -28.31 59.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.654 1.182 . . . . 10.0 108.881 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -54.65 -33.17 60.27 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 129.902 3.281 . . . . 10.0 112.642 168.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -84.83 -30.77 24.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.842 2.057 . . . . 10.0 113.672 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.64 -40.97 89.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 122.299 1.047 . . . . 10.0 108.461 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.88 -37.04 85.34 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.994 1.318 . . . . 10.0 112.538 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.03 -10.46 22.08 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 121.168 -0.958 . . . . 10.0 113.092 168.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.77 -33.2 11.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.909 2.084 . . . . 10.0 111.86 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.26 -36.56 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.837 1.255 . . . . 10.0 109.421 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -14.41 1.02 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.008 2.923 . . . . 10.0 113.743 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -122.49 15.14 10.36 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 128.69 2.796 . . . . 10.0 112.338 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -134.37 -30.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.191 1.796 . . . . 10.0 113.392 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -75.1 -5.79 46.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.976 1.71 . . . . 10.0 113.594 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -130.86 146.41 52.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.713 1.205 . . . . 10.0 112.16 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.32 163.04 37.72 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.86 1.664 . . . . 10.0 111.579 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -146.35 144.35 29.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.967 1.307 . . . . 10.0 110.745 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.499 1.519 . . . . 10.0 111.929 -171.03 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.64 161.7 40.64 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 123.425 1.583 . . . . 10.0 113.26 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 p -78.43 156.55 78.41 Favored Pre-proline 0 N--CA 1.447 -0.624 0 CA-C-N 112.133 -2.303 . . . . 10.0 108.628 167.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.13 75.79 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.736 2.291 . . . . 10.0 112.654 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -47.51 -33.94 6.92 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.009 2.524 . . . . 10.0 115.15 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -63.02 -19.29 64.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.064 1.135 . . . . 10.0 114.064 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.38 -2.84 87.3 Favored Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.49 1.519 . . . . 10.0 114.617 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.41 -12.76 2.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.865 2.066 . . . . 10.0 113.915 -174.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.56 -50.34 60.27 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.684 1.593 . . . . 10.0 113.63 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.38 16.81 0.56 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.086 0.955 . . . . 10.0 113.53 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.91 -40.64 2.02 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.931 2.092 . . . . 10.0 110.267 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.77 -55.07 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 126.028 1.731 . . . . 10.0 112.513 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -68.13 -36.32 79.51 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.6 0.76 . . . . 10.0 111.044 171.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.84 -29.23 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 -173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -56.14 -24.87 43.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.707 1.203 . . . . 10.0 113.433 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.67 -3.76 38.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.212 2.605 . . . . 10.0 114.714 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.79 -17.16 21.0 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.809 1.781 . . . . 10.0 115.809 -169.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -98.28 -25.68 14.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.06 1.344 . . . . 10.0 114.291 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.91 -40.01 7.28 Favored Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.213 -0.929 . . . . 10.0 111.703 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.73 -34.53 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 C-N-CA 124.418 1.087 . . . . 10.0 110.863 168.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.0 -21.18 64.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.686 1.195 . . . . 10.0 113.978 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -69.94 -27.03 64.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.541 1.519 . . . . 10.0 111.038 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.98 -44.73 17.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.937 0.895 . . . . 10.0 112.415 169.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.94 -46.59 84.8 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.802 1.641 . . . . 10.0 111.862 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.72 -44.85 82.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.437 1.095 . . . . 10.0 109.937 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -59.33 -51.63 69.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.207 1.403 . . . . 10.0 114.32 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.19 -37.64 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 119.491 1.041 . . . . 10.0 110.963 177.214 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 m -69.74 -27.96 65.39 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 123.605 0.762 . . . . 10.0 111.448 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.09 -29.68 43.45 Favored 'General case' 0 N--CA 1.444 -0.768 0 O-C-N 120.801 -1.187 . . . . 10.0 111.145 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.82 92.49 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.716 -1.24 . . . . 10.0 109.562 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.08 -29.93 68.13 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.674 1.59 . . . . 10.0 113.177 169.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.52 -31.99 68.43 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 121.408 1.913 . . . . 10.0 109.144 171.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.13 -44.43 47.07 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.63 1.172 . . . . 10.0 111.431 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.23 -19.77 61.66 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.993 -1.067 . . . . 10.0 111.828 -175.346 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.92 -23.32 36.28 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.963 1.705 . . . . 10.0 110.455 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -52.14 7.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.796 2.438 . . . . 10.0 116.248 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.0 tttt -140.08 46.63 1.03 Allowed Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 127.361 2.264 . . . . 10.0 110.126 -175.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.579 6.6 Cg_exo -14.9 -91.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 2 N-CA-C 123.99 4.573 . . . . 10.0 123.99 -165.526 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.82 9.46 1.86 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -48.26 107.63 0.78 Allowed Pre-proline 0 C--N 1.347 0.465 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.17 -23.82 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 N-CA-C 114.809 1.042 . . . . 10.0 114.809 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.75 93.44 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.932 0.787 . . . . 10.0 111.947 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.56 -43.35 20.8 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.102 1.149 . . . . 10.0 114.102 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -34.8 78.76 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.787 1.176 . . . . 10.0 109.837 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.33 55.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 119.748 1.158 . . . . 10.0 111.79 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.25 79.56 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.21 -0.931 . . . . 10.0 111.33 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.6 t80 -61.44 -55.26 33.22 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 123.927 0.891 . . . . 10.0 111.557 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.257 0.0 OUTLIER -65.98 -24.64 66.83 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.802 0.811 . . . . 10.0 111.25 -176.185 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.3 m -66.86 -50.64 61.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 124.834 1.253 . . . . 10.0 111.125 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.35 -37.67 83.62 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.417 1.087 . . . . 10.0 112.646 -178.379 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.63 -39.96 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.296 3.038 . . . . 10.0 110.094 168.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -77.15 -42.21 38.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 171.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -58.57 -33.92 70.48 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.435 1.016 . . . . 10.0 112.27 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.19 -38.46 78.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.257 1.023 . . . . 10.0 110.563 177.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.91 -26.23 63.12 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 169.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.26 -39.38 71.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.232 1.813 . . . . 10.0 111.148 169.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.8 t80 -55.29 -44.28 75.58 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 168.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -35.23 80.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.708 2.403 . . . . 10.0 113.002 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.05 -45.87 69.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.288 1.835 . . . . 10.0 111.027 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.29 88.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.132 1.773 . . . . 10.0 110.789 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 27.89 0.19 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.418 2.287 . . . . 10.0 113.306 168.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -144.5 18.32 1.69 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.912 2.885 . . . . 10.0 109.708 168.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -121.75 -51.76 2.03 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 128.027 2.531 . . . . 10.0 110.208 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -53.35 -38.83 63.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.703 2.001 . . . . 10.0 114.325 169.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.2 t -56.53 -44.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 128.561 2.744 . . . . 10.0 111.458 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.09 8.02 9.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 129.157 2.983 . . . . 10.0 113.258 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.27 -34.86 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 128.377 2.671 . . . . 10.0 111.234 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -66.14 -24.4 66.66 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.159 -1.422 . . . . 10.0 107.159 166.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -59.04 -36.21 74.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.385 -1.447 . . . . 10.0 110.017 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -33.43 51.81 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.057 1.743 . . . . 10.0 112.984 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -42.31 92.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.988 0.899 . . . . 10.0 110.475 169.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.81 -34.59 78.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.552 -1.343 . . . . 10.0 113.694 172.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.04 71.21 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 120.891 -1.131 . . . . 10.0 111.456 169.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.96 72.31 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.99 -1.069 . . . . 10.0 112.692 169.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.4 -40.23 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.062 0.945 . . . . 10.0 110.283 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.3 -45.06 94.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.634 1.574 . . . . 10.0 112.081 171.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.88 -31.23 69.59 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.722 -1.236 . . . . 10.0 112.978 170.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.5 -2.36 25.37 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 10.0 114.983 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -58.78 158.38 8.18 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.814 -1.179 . . . . 10.0 113.835 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -61.47 104.73 0.44 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.376 1.07 . . . . 10.0 111.233 173.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.97 141.66 57.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.997 0.919 . . . . 10.0 112.571 -173.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -141.33 160.32 40.36 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.312 1.845 . . . . 10.0 110.845 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.008 1.323 . . . . 10.0 113.543 173.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 119.311 -0.376 . . . . 10.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.32 161.88 39.12 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.299 1.44 . . . . 10.0 112.606 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 12.8 p -78.46 146.2 69.43 Favored Pre-proline 0 N--CA 1.445 -0.681 0 CA-C-N 113.026 -1.897 . . . . 10.0 109.637 168.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 21.4 Cg_exo -64.29 125.05 14.36 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 120.623 0.882 . . . . 10.0 113.698 -169.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -61.11 -20.86 63.13 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -57.81 -21.92 44.63 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.373 1.249 . . . . 10.0 114.373 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.49 -5.41 78.99 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.959 1.266 . . . . 10.0 114.823 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -140.48 8.34 2.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.945 2.098 . . . . 10.0 113.076 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -46.07 -49.64 16.18 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.972 2.109 . . . . 10.0 114.507 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.37 12.59 1.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.964 1.098 . . . . 10.0 113.964 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -140.24 10.94 2.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.973 1.709 . . . . 10.0 112.027 169.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.33 -59.19 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 126.378 1.871 . . . . 10.0 110.765 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -66.43 -50.36 63.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.915 0.886 . . . . 10.0 110.191 169.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.71 59.2 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.16 1.17 . . . . 10.0 114.16 -171.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.97 -41.88 64.98 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.241 1.416 . . . . 10.0 110.701 169.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.37 -55.46 7.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.688 1.195 . . . . 10.0 110.909 168.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -29.36 68.43 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.533 2.049 . . . . 10.0 116.533 -169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -88.97 -30.68 18.6 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.403 -0.811 . . . . 10.0 113.077 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.73 -40.98 13.51 Favored Glycine 0 N--CA 1.47 0.941 0 O-C-N 121.457 -0.777 . . . . 10.0 111.723 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -56.13 -40.52 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 C-N-CA 123.556 0.742 . . . . 10.0 110.625 169.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.44 -24.43 65.63 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 113.855 1.058 . . . . 10.0 113.855 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.91 -27.86 65.13 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 120.13 1.332 . . . . 10.0 112.409 169.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.8 -44.56 18.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.681 0.792 . . . . 10.0 112.357 169.607 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -57.55 -46.74 83.54 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 126.892 2.077 . . . . 10.0 111.646 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.74 -46.5 81.34 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.469 1.108 . . . . 10.0 109.714 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.28 -51.82 68.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.265 1.426 . . . . 10.0 114.48 173.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.99 -37.67 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.396 0.998 . . . . 10.0 110.973 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 m -68.08 -27.64 66.67 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.534 0.734 . . . . 10.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -78.96 -29.0 43.72 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.867 -1.145 . . . . 10.0 111.186 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.91 93.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.608 -1.307 . . . . 10.0 109.306 167.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.45 -29.65 69.17 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.516 1.526 . . . . 10.0 113.4 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.48 -31.4 69.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 121.164 1.802 . . . . 10.0 109.136 172.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -75.46 -44.76 42.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.887 1.275 . . . . 10.0 111.152 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -19.7 61.62 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.025 -1.047 . . . . 10.0 111.798 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.9 37.02 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.948 1.699 . . . . 10.0 110.435 169.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.93 8.06 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.69 2.396 . . . . 10.0 116.164 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -141.34 49.13 1.4 Allowed Pre-proline 0 N--CA 1.49 1.563 0 C-N-CA 127.309 2.244 . . . . 10.0 109.682 -175.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.565 7.3 Cg_exo -17.17 -90.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.187 2 N-CA-C 123.79 4.496 . . . . 10.0 123.79 -165.601 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -76.06 10.53 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 119.699 1.136 . . . . 10.0 113.815 -169.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -49.22 106.92 0.68 Allowed Pre-proline 0 N--CA 1.469 0.493 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 167.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -66.24 -24.18 51.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 N-CA-C 115.9 1.462 . . . . 10.0 115.9 -166.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.3 77.92 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.853 0.751 . . . . 10.0 112.388 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.2 -42.38 23.43 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.038 0.835 . . . . 10.0 112.979 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.64 -44.15 97.0 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 117.621 -1.18 . . . . 10.0 108.519 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.88 -19.93 60.56 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.258 2.299 . . . . 10.0 112.521 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.63 79.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.332 0.969 . . . . 10.0 109.761 168.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -61.54 -51.02 70.31 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 123.844 0.858 . . . . 10.0 109.974 168.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.4 mm100 -54.6 -31.42 57.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.474 1.11 . . . . 10.0 112.084 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -50.57 21.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.189 0.996 . . . . 10.0 112.243 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.42 -34.25 76.85 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 124.2 1.0 . . . . 10.0 112.326 -178.236 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -54.06 -43.24 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 129.205 3.002 . . . . 10.0 109.996 168.361 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -73.52 -42.21 62.04 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.561 0.745 . . . . 10.0 112.898 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.37 72.47 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.328 -0.858 . . . . 10.0 112.387 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -36.5 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.929 0.892 . . . . 10.0 110.242 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -26.05 65.21 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 121.71 -0.619 . . . . 10.0 112.072 169.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.099 1.759 . . . . 10.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 14.3 t80 -54.87 -42.62 72.26 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 107.679 -1.23 . . . . 10.0 107.679 168.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -35.78 81.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.186 2.194 . . . . 10.0 113.466 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.41 -45.15 80.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.638 1.575 . . . . 10.0 110.741 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.1 -41.95 98.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.118 1.767 . . . . 10.0 111.189 170.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -79.28 30.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.027 2.131 . . . . 10.0 113.588 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.18 17.77 1.38 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.291 3.037 . . . . 10.0 109.949 168.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -125.33 -51.02 1.64 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 127.361 2.265 . . . . 10.0 110.441 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -51.94 -41.04 61.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.378 1.871 . . . . 10.0 113.791 169.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.6 t -50.9 -29.81 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 130.317 3.447 . . . . 10.0 113.448 170.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -113.14 14.4 19.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 130.352 3.461 . . . . 10.0 112.544 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -34.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 129.308 3.043 . . . . 10.0 110.332 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.09 -20.92 66.71 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 107.443 -1.317 . . . . 10.0 107.443 166.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -60.02 -36.43 77.23 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.641 1.576 . . . . 10.0 109.95 167.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -32.94 45.6 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.307 1.843 . . . . 10.0 112.692 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -42.25 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.964 0.888 . . . . 10.0 110.089 169.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.62 -31.64 72.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 120.568 -1.333 . . . . 10.0 113.742 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.81 70.27 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 119.19 0.904 . . . . 10.0 111.565 169.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.66 -34.96 58.24 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.814 -1.179 . . . . 10.0 112.053 169.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.59 -34.77 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.149 -0.969 . . . . 10.0 109.75 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.97 -46.96 86.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.722 2.009 . . . . 10.0 111.448 173.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.53 -38.38 87.2 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.926 0.89 . . . . 10.0 112.286 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.98 -37.87 87.06 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.16 0.984 . . . . 10.0 112.733 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -71.07 -40.98 71.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.449 1.499 . . . . 10.0 112.552 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -78.88 53.67 1.43 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.093 1.357 . . . . 10.0 112.224 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.72 160.53 5.57 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.798 1.639 . . . . 10.0 113.145 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -68.74 -18.37 64.21 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.208 1.403 . . . . 10.0 113.256 -179.287 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.564 -0.161 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.22 158.11 20.9 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 123.442 1.592 . . . . 10.0 114.883 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 13.6 p -81.57 149.73 65.18 Favored Pre-proline 0 N--CA 1.448 -0.548 0 CA-C-N 112.333 -2.212 . . . . 10.0 109.382 168.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 12.4 Cg_exo -66.65 109.61 1.68 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 121.084 1.189 . . . . 10.0 113.115 -174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -20.5 58.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.925 1.454 . . . . 10.0 114.925 -173.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -58.78 -22.95 59.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.907 1.283 . . . . 10.0 114.415 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 -3.7 82.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.633 1.111 . . . . 10.0 114.767 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -142.24 7.13 1.76 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.447 2.299 . . . . 10.0 113.098 -170.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 tp -48.73 -51.24 29.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.307 1.843 . . . . 10.0 114.65 -168.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.15 10.33 1.59 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.375 1.25 . . . . 10.0 114.375 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -122.87 -32.14 3.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.225 1.81 . . . . 10.0 111.343 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -82.59 -60.87 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 126.016 1.726 . . . . 10.0 111.903 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -60.84 -39.2 88.18 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.873 0.869 . . . . 10.0 110.962 172.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.74 69.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -58.87 -29.23 66.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.421 1.088 . . . . 10.0 112.806 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.61 -28.8 15.19 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.654 2.382 . . . . 10.0 112.872 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.31 -19.92 16.52 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.014 1.857 . . . . 10.0 116.014 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -95.0 -25.98 16.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.144 1.165 . . . . 10.0 114.144 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.94 -40.58 6.6 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 121.015 -1.053 . . . . 10.0 111.573 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 57' ' ' TYR . 2.1 p -57.53 -33.73 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 124.458 1.103 . . . . 10.0 110.695 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 -68.42 -24.21 64.71 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.196 0.998 . . . . 10.0 113.467 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.35 -23.35 62.79 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.035 1.289 . . . . 10.0 110.943 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 27' ' ' VAL 0.381 0.4 OUTLIER -85.53 -42.64 14.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.467 0.707 . . . . 10.0 112.285 168.876 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 22.4 tp60 -55.61 -47.86 75.84 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 126.577 1.951 . . . . 10.0 111.799 173.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.4 -45.19 84.81 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 124.539 1.136 . . . . 10.0 109.888 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -59.3 -50.12 75.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.549 1.54 . . . . 10.0 114.213 173.473 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.54 -38.49 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 119.458 1.026 . . . . 10.0 110.638 176.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.9 m -68.31 -27.47 66.32 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.581 0.752 . . . . 10.0 111.268 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.93 -29.44 39.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.997 -1.065 . . . . 10.0 111.021 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.2 96.38 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.75 -1.218 . . . . 10.0 109.23 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.99 -29.86 68.98 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.467 1.507 . . . . 10.0 113.181 169.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.94 -33.38 70.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 121.544 1.975 . . . . 10.0 109.182 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -72.71 -44.16 62.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.538 1.135 . . . . 10.0 111.236 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.95 -19.95 61.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.01 -1.056 . . . . 10.0 111.855 -175.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.63 38.44 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 125.984 1.714 . . . . 10.0 110.242 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.32 -53.47 6.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.031 2.533 . . . . 10.0 116.533 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HB3' HD21 ' A' ' 43' ' ' LEU . 33.6 ttmt -139.56 49.04 1.81 Allowed Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 127.407 2.283 . . . . 10.0 109.544 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.568 6.7 Cg_exo -17.09 -89.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 2 N-CA-C 123.863 4.524 . . . . 10.0 123.863 -165.593 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 10.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.548 1.067 . . . . 10.0 113.876 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.35 107.09 0.71 Allowed Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 167.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.6 -23.95 48.97 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 N-CA-C 115.956 1.483 . . . . 10.0 115.956 -166.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.5 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.793 0.724 . . . . 10.0 112.237 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.22 -41.95 24.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.177 0.899 . . . . 10.0 112.564 170.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.08 -45.26 92.96 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 117.84 -1.076 . . . . 10.0 108.699 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.83 60.51 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 121.925 2.148 . . . . 10.0 112.229 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.18 78.26 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.499 1.045 . . . . 10.0 109.81 168.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -61.69 -52.71 63.2 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 118.649 -0.691 . . . . 10.0 109.623 168.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.5 mm100 -54.23 -31.7 54.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 10.0 112.197 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.4 m -72.35 -55.25 7.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.074 0.95 . . . . 10.0 111.586 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -63.06 -37.36 86.88 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.627 1.171 . . . . 10.0 112.126 -177.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.32 -42.32 61.13 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 129.349 3.06 . . . . 10.0 110.942 168.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -78.34 -41.99 31.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.704 0.801 . . . . 10.0 112.615 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -57.99 -35.16 70.82 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 118.779 0.718 . . . . 10.0 111.548 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -32.18 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.848 1.259 . . . . 10.0 110.243 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -26.41 60.44 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.984 -0.447 . . . . 10.0 111.282 168.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.01 -35.37 66.79 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.305 1.842 . . . . 10.0 111.396 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD1' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -55.87 -43.56 77.26 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 168.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -42.2 99.45 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 128.271 2.628 . . . . 10.0 112.704 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.79 -44.23 81.85 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.345 1.458 . . . . 10.0 111.553 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.83 90.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.699 1.6 . . . . 10.0 110.719 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.432 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.0 OUTLIER -76.98 25.34 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.095 1.758 . . . . 10.0 114.751 169.61 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t -143.39 16.05 1.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 128.82 2.848 . . . . 10.0 110.394 168.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.98 -49.65 1.96 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.012 2.525 . . . . 10.0 110.219 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -49.75 -42.93 47.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.669 1.988 . . . . 10.0 113.246 169.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.5 -26.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 130.793 3.637 . . . . 10.0 113.704 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -113.95 11.93 17.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 130.446 3.498 . . . . 10.0 112.046 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 4.7 t -114.11 -33.77 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 129.111 2.964 . . . . 10.0 110.945 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -58.2 -32.63 68.44 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 167.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -55.58 -35.22 65.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.565 2.746 . . . . 10.0 112.135 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -31.03 38.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 126.095 1.758 . . . . 10.0 112.893 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 168.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.78 -36.84 85.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.219 1.008 . . . . 10.0 113.123 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.56 -13.77 59.68 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 120.884 -1.135 . . . . 10.0 112.353 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.53 -33.88 15.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.768 1.627 . . . . 10.0 111.781 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.3 -38.72 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.884 1.274 . . . . 10.0 109.267 169.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -47.86 74.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.102 2.161 . . . . 10.0 111.851 169.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.09 -28.18 67.13 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.93 -1.106 . . . . 10.0 113.92 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.67 -16.67 41.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.648 1.579 . . . . 10.0 114.021 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -62.04 -21.53 64.98 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.73 -1.231 . . . . 10.0 113.397 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.7 t60 14.62 60.32 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 131.22 3.808 . . . . 10.0 117.145 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.39 132.68 42.2 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.117 -0.99 . . . . 10.0 110.281 169.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -69.84 146.32 51.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.648 0.779 . . . . 10.0 112.076 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.804 1.642 . . . . 10.0 111.509 176.085 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.424 0.154 . . . . 10.0 111.395 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.88 159.53 43.81 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 123.008 1.385 . . . . 10.0 113.18 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 p -81.55 145.85 55.81 Favored Pre-proline 0 C--O 1.239 0.518 0 CA-C-N 112.698 -2.046 . . . . 10.0 109.911 168.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -64.86 135.32 44.03 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 120.86 1.04 . . . . 10.0 112.939 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -55.15 -40.64 70.82 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.518 0.932 . . . . 10.0 113.518 -170.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.52 -1.74 3.95 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.498 1.295 . . . . 10.0 114.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.11 23.68 4.61 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.052 1.787 . . . . 10.0 113.683 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -150.08 -43.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.699 1.599 . . . . 10.0 113.56 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.94 -37.15 68.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.336 1.854 . . . . 10.0 112.444 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.83 -16.42 40.89 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -97.4 -34.88 10.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.301 1.04 . . . . 10.0 112.888 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.9 t -71.46 -55.68 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.304 1.841 . . . . 10.0 111.591 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -65.62 -29.16 69.71 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.577 1.151 . . . . 10.0 112.226 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.16 -24.45 67.69 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.932 -1.105 . . . . 10.0 113.378 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -62.47 -35.19 78.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.041 0.936 . . . . 10.0 112.375 170.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -49.43 60.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.58 1.152 . . . . 10.0 108.492 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.98 -24.77 55.69 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.055 1.872 . . . . 10.0 116.055 -171.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -98.26 -28.04 13.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.017 1.118 . . . . 10.0 114.017 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.63 -39.36 18.05 Favored Glycine 0 N--CA 1.472 1.099 0 O-C-N 120.969 -1.082 . . . . 10.0 111.964 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -37.29 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 124.594 1.158 . . . . 10.0 111.263 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.74 -23.64 64.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -26.97 64.61 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 120.064 1.302 . . . . 10.0 111.891 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.3 -43.61 18.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.801 0.84 . . . . 10.0 112.506 169.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.94 -47.11 83.85 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 126.416 1.886 . . . . 10.0 111.784 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.8 -45.39 82.26 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.557 1.143 . . . . 10.0 109.758 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.76 68.46 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.142 1.377 . . . . 10.0 114.482 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.45 -37.85 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.494 1.043 . . . . 10.0 111.033 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -67.71 -27.45 66.82 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 123.575 0.75 . . . . 10.0 111.331 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.83 -28.2 40.16 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 120.826 -1.171 . . . . 10.0 111.427 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.25 91.83 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.406 -1.434 . . . . 10.0 109.121 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -67.96 -29.82 68.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.455 1.502 . . . . 10.0 113.274 169.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.37 -31.94 68.11 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.421 1.919 . . . . 10.0 109.441 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -75.11 -44.61 46.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.814 1.246 . . . . 10.0 111.357 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -19.73 61.69 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 122.212 1.005 . . . . 10.0 111.859 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.85 -22.98 36.66 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.814 1.645 . . . . 10.0 110.444 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -52.42 7.54 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.792 2.437 . . . . 10.0 116.235 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.6 ttmt -140.53 48.77 1.48 Allowed Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 127.378 2.271 . . . . 10.0 109.653 -176.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.564 7.4 Cg_exo -16.87 -90.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 2 N-CA-C 123.862 4.524 . . . . 10.0 123.862 -165.539 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.92 10.57 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 119.581 1.082 . . . . 10.0 113.848 -169.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.19 106.68 0.65 Allowed Pre-proline 0 N--CA 1.469 0.517 0 N-CA-C 105.816 -1.92 . . . . 10.0 105.816 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.09 -23.87 52.81 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 N-CA-C 115.993 1.497 . . . . 10.0 115.993 -166.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.82 76.1 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.873 0.76 . . . . 10.0 112.583 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.14 -42.0 24.34 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.151 0.887 . . . . 10.0 112.942 170.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.21 -44.6 94.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 117.705 -1.141 . . . . 10.0 108.243 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.05 -19.86 60.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 122.249 2.295 . . . . 10.0 112.434 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.17 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.412 1.005 . . . . 10.0 109.697 168.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.83 -51.34 69.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.96 0.904 . . . . 10.0 109.923 168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.0 mm100 -54.79 -31.19 58.65 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.378 1.071 . . . . 10.0 112.09 176.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -73.57 -50.24 22.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.199 1.0 . . . . 10.0 112.067 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.82 -36.15 81.71 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 124.263 1.025 . . . . 10.0 112.047 -177.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -52.16 -40.55 61.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.354 3.062 . . . . 10.0 110.474 168.682 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 m -78.69 -41.18 31.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.987 0.915 . . . . 10.0 113.108 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HA ' HD22 ' A' ' 56' ' ' LEU . 54.4 mm-40 -58.81 -34.5 71.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.33 0.968 . . . . 10.0 112.156 175.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.35 83.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.349 1.06 . . . . 10.0 110.369 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.69 -25.36 62.93 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 121.68 -0.637 . . . . 10.0 112.641 169.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 53' ' ' GLU . 1.1 mp -71.91 -38.45 69.9 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.89 1.676 . . . . 10.0 111.457 169.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.3 t80 -54.9 -43.63 73.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 168.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -35.32 80.07 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.098 2.159 . . . . 10.0 113.43 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.1 -44.49 76.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.643 1.577 . . . . 10.0 110.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.26 97.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.593 1.557 . . . . 10.0 111.353 170.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 64' ' ' THR . 5.6 tp60 -81.78 33.36 0.37 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.209 1.804 . . . . 10.0 114.179 169.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 t -137.92 -24.66 1.01 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 129.787 3.235 . . . . 10.0 109.88 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -75.33 -52.4 10.91 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.12 1.768 . . . . 10.0 113.925 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 61' ' ' GLN . 9.8 t -52.06 -40.47 61.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.782 2.033 . . . . 10.0 114.273 174.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -57.78 -30.77 38.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 129.716 3.206 . . . . 10.0 112.179 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.56 11.89 38.52 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 129.952 3.301 . . . . 10.0 113.954 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.5 t -114.78 -35.11 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 128.638 2.775 . . . . 10.0 111.16 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.54 -29.47 69.16 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.388 -0.967 . . . . 10.0 108.388 167.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -53.32 -34.1 56.07 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 127.786 2.434 . . . . 10.0 111.462 167.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.68 -29.12 40.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.497 1.519 . . . . 10.0 113.022 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.54 -44.0 77.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 168.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.57 -31.75 72.97 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.369 1.068 . . . . 10.0 113.346 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.54 74.02 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.231 1.012 . . . . 10.0 111.227 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.38 66.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 10.0 112.573 169.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.24 -41.6 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.759 1.223 . . . . 10.0 110.725 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -56.25 -51.44 68.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.598 . . . . 10.0 110.777 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.58 -32.95 74.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.884 1.273 . . . . 10.0 113.262 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -57.95 -21.15 42.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.389 1.476 . . . . 10.0 113.881 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -123.94 8.04 8.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.449 1.5 . . . . 10.0 113.184 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 40.44 -32.99 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 1 C-N-CA 132.195 4.198 . . . . 10.0 120.763 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -156.3 165.25 36.92 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 121.045 1.748 . . . . 10.0 112.469 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.05 151.92 29.5 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.116 1.367 . . . . 10.0 112.329 169.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.679 1.592 . . . . 10.0 111.436 179.432 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.35 162.99 19.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 124.209 1.957 . . . . 10.0 115.435 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -78.23 167.19 37.58 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 110.846 -2.888 . . . . 10.0 106.96 166.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -67.96 43.94 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 123.347 2.698 . . . . 10.0 117.219 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -46.99 -40.46 14.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.834 2.454 . . . . 10.0 113.928 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -59.06 -18.23 33.01 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.67 -0.21 64.66 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.397 1.475 . . . . 10.0 114.802 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.2 -12.78 1.4 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.165 1.786 . . . . 10.0 113.719 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -40.26 -52.55 2.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.654 2.782 . . . . 10.0 114.605 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.47 8.36 2.89 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.233 1.197 . . . . 10.0 114.233 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.37 0.63 6.33 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.572 1.549 . . . . 10.0 112.43 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -112.55 -62.29 2.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 C-N-CA 127.102 2.161 . . . . 10.0 110.702 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -61.88 -33.93 75.1 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.186 0.994 . . . . 10.0 111.938 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -15.34 47.92 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.968 1.099 . . . . 10.0 113.968 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -55.62 -38.29 69.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.058 0.943 . . . . 10.0 111.69 169.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.6 83.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.958 1.303 . . . . 10.0 111.64 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -18.39 58.04 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.978 1.473 . . . . 10.0 114.978 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -109.84 -24.83 10.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.414 1.485 . . . . 10.0 114.163 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.65 60.05 Favored Glycine 0 N--CA 1.472 1.087 0 O-C-N 120.691 -1.256 . . . . 10.0 112.547 171.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -37.8 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 C-N-CA 124.989 1.315 . . . . 10.0 111.853 169.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 -69.77 -20.74 63.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -70.28 -27.09 64.14 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 120.129 1.331 . . . . 10.0 111.525 168.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.11 -44.87 17.31 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.064 0.946 . . . . 10.0 112.399 169.605 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 61.5 tp60 -56.46 -47.81 78.4 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.877 1.671 . . . . 10.0 112.01 174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.65 -44.59 81.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.377 1.071 . . . . 10.0 109.891 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.62 -51.99 67.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.201 1.4 . . . . 10.0 114.474 172.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.73 -37.53 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 119.489 1.04 . . . . 10.0 111.058 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -69.83 -27.93 65.27 Favored 'General case' 0 C--O 1.219 -0.54 0 C-N-CA 123.852 0.861 . . . . 10.0 111.527 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -79.44 -29.23 41.74 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 120.777 -1.202 . . . . 10.0 110.986 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.64 91.73 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.636 -1.29 . . . . 10.0 109.461 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.87 -29.97 68.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.657 1.583 . . . . 10.0 113.288 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.39 -31.47 67.71 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 121.31 1.868 . . . . 10.0 109.221 171.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.93 -44.44 40.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.846 1.258 . . . . 10.0 111.482 169.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.28 -19.79 61.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.994 -1.066 . . . . 10.0 111.801 -175.411 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.65 -23.33 37.0 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.848 1.659 . . . . 10.0 110.44 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -52.15 7.81 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.735 2.414 . . . . 10.0 116.12 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.8 tttt -140.27 47.63 1.23 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 127.286 2.234 . . . . 10.0 110.089 -175.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.573 6.6 Cg_exo -15.94 -91.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.104 2 N-CA-C 123.931 4.551 . . . . 10.0 123.931 -165.444 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.92 9.54 1.86 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.998 1.11 . . . . 10.0 113.998 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -48.49 107.6 0.78 Allowed Pre-proline 0 N--CA 1.469 0.499 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 167.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.01 -24.01 39.73 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 N-CA-C 114.65 0.981 . . . . 10.0 114.65 -167.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.82 94.13 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.033 0.833 . . . . 10.0 111.959 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.51 -43.59 20.51 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.173 1.175 . . . . 10.0 114.173 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.525 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.73 -34.85 78.81 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.797 1.181 . . . . 10.0 109.732 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.84 -27.3 55.07 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.721 -1.237 . . . . 10.0 112.008 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.43 77.76 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.45 -0.781 . . . . 10.0 111.26 169.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.2 t80 -61.12 -54.98 37.81 Favored 'General case' 0 CA--C 1.503 -0.861 0 O-C-N 121.158 -0.964 . . . . 10.0 111.69 170.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.2 pp0? -65.87 -24.83 66.95 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.846 0.831 . . . . 10.0 111.146 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -66.6 -50.25 63.65 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.452 1.101 . . . . 10.0 111.127 169.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.05 -37.54 84.25 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.561 1.145 . . . . 10.0 112.798 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.47 -37.82 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 129.381 3.072 . . . . 10.0 110.557 168.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -79.4 -41.22 28.2 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -58.28 -34.2 70.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.506 1.048 . . . . 10.0 112.088 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.09 80.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.325 1.05 . . . . 10.0 110.681 177.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -25.36 62.36 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.623 -0.673 . . . . 10.0 112.328 169.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -71.94 -36.24 69.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.964 1.706 . . . . 10.0 111.556 169.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.3 t80 -55.81 -42.6 75.89 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.397 1.094 . . . . 10.0 108.359 168.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -39.73 89.02 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.47 2.308 . . . . 10.0 113.35 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -66.42 -40.3 89.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.506 1.522 . . . . 10.0 111.124 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.9 -41.35 95.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.219 1.408 . . . . 10.0 110.833 170.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -76.89 32.23 0.14 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.045 2.138 . . . . 10.0 114.452 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -140.98 -38.6 0.42 Allowed 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.099 2.959 . . . . 10.0 108.208 168.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -58.59 -53.17 61.31 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 125.428 1.491 . . . . 10.0 112.409 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.2 t -53.25 -46.58 69.25 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.885 2.074 . . . . 10.0 114.415 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 65' ' ' VAL . 1.4 t -57.95 -35.66 52.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 129.139 2.975 . . . . 10.0 111.46 174.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -97.19 10.97 37.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 130.817 3.647 . . . . 10.0 113.803 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.5 -31.82 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 C-N-CA 129.228 3.011 . . . . 10.0 110.938 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -58.53 -34.79 71.39 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 107.603 -1.258 . . . . 10.0 107.603 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -56.61 -32.16 65.0 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 128.546 2.738 . . . . 10.0 112.257 167.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -29.08 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.818 1.647 . . . . 10.0 112.974 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.35 -43.49 94.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 108.035 -1.098 . . . . 10.0 108.035 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.163 1.385 . . . . 10.0 113.427 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.36 67.03 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 120.424 -1.423 . . . . 10.0 111.262 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -36.47 72.96 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.489 -1.382 . . . . 10.0 111.409 169.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.38 -39.55 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.302 1.441 . . . . 10.0 110.617 170.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -50.21 73.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.378 1.471 . . . . 10.0 110.909 172.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.02 -28.95 69.42 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.084 -1.01 . . . . 10.0 113.622 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -60.49 -18.13 49.7 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.745 1.218 . . . . 10.0 114.012 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.03 1.84 52.92 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.504 1.298 . . . . 10.0 114.504 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.21 4.02 2.47 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.77 143.96 49.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 120.006 -1.684 . . . . 10.0 112.079 169.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -132.78 -2.21 3.33 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.251 1.204 . . . . 10.0 114.251 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 C--O 1.254 1.328 0 C-N-CA 126.534 1.934 . . . . 10.0 111.008 -178.056 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.77 159.23 40.49 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 123.515 1.626 . . . . 10.0 113.679 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -78.97 159.29 73.71 Favored Pre-proline 0 N--CA 1.443 -0.789 0 CA-C-N 111.704 -2.498 . . . . 10.0 106.661 166.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.63 -5.23 5.41 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 N-CA-C 116.239 1.592 . . . . 10.0 116.239 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -139.57 20.6 2.54 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.972 1.709 . . . . 10.0 114.552 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -52.25 -25.82 10.31 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.117 1.895 . . . . 10.0 116.117 -174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.87 6.65 82.61 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.18 1.371 . . . . 10.0 115.081 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -145.49 -56.14 0.31 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.808 1.643 . . . . 10.0 113.09 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.95 -31.88 73.06 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.357 2.263 . . . . 10.0 113.026 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.48 -3.61 9.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.37 1.248 . . . . 10.0 114.37 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -121.67 13.03 10.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.901 1.68 . . . . 10.0 112.525 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.65 -58.82 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 127.762 2.425 . . . . 10.0 110.598 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -64.36 -31.9 73.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.048 0.939 . . . . 10.0 112.214 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.16 67.81 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.039 1.126 . . . . 10.0 114.039 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.455 1.102 . . . . 10.0 113.559 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -97.55 -34.72 10.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.815 1.246 . . . . 10.0 112.442 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -24.58 -60.74 0.06 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.849 2.86 . . . . 10.0 118.426 -168.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 t -87.36 -29.15 21.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.89 -37.99 37.28 Favored Glycine 0 N--CA 1.47 0.924 0 O-C-N 121.242 -0.911 . . . . 10.0 111.385 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.09 -39.67 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.753 0 C-N-CA 123.998 0.919 . . . . 10.0 110.591 169.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.81 -24.82 62.62 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.514 0.931 . . . . 10.0 113.514 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.4 -26.12 64.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.156 1.343 . . . . 10.0 112.443 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.68 -41.5 17.67 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.996 0.918 . . . . 10.0 112.914 169.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -59.45 -46.41 88.85 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 127.203 2.201 . . . . 10.0 111.492 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.2 -44.94 79.95 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.527 1.131 . . . . 10.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.19 -51.6 69.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.19 1.396 . . . . 10.0 114.581 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.95 -37.4 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 119.628 1.103 . . . . 10.0 110.98 177.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 m -69.43 -28.19 65.92 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.934 0.894 . . . . 10.0 111.273 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 -28.7 43.62 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 120.838 -1.164 . . . . 10.0 111.106 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.54 90.25 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.657 -1.277 . . . . 10.0 109.537 167.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.85 -29.64 68.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.716 1.606 . . . . 10.0 113.252 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -30.82 67.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.26 1.845 . . . . 10.0 109.32 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -76.73 -44.43 33.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.067 1.347 . . . . 10.0 111.438 169.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.3 -19.81 61.61 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.997 -1.064 . . . . 10.0 111.751 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.34 -23.45 37.77 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.828 1.651 . . . . 10.0 110.406 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -51.85 8.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.667 2.387 . . . . 10.0 116.206 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.7 tttt -140.82 48.56 1.35 Allowed Pre-proline 0 N--CA 1.489 1.505 0 C-N-CA 127.254 2.222 . . . . 10.0 110.024 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.574 6.9 Cg_exo -16.67 -90.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 2 N-CA-C 123.987 4.572 . . . . 10.0 123.987 -165.399 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.5 p -75.1 9.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 119.753 1.161 . . . . 10.0 114.057 -169.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -48.66 107.79 0.82 Allowed Pre-proline 0 N--CA 1.469 0.476 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 167.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.23 -23.95 38.46 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 N-CA-C 114.731 1.012 . . . . 10.0 114.731 -167.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.52 94.5 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.085 0.857 . . . . 10.0 111.917 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.57 -43.86 19.94 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 170.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 -34.66 78.35 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.832 -1.168 . . . . 10.0 109.793 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.44 -29.13 56.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.786 -1.196 . . . . 10.0 111.839 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.23 83.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.274 -0.891 . . . . 10.0 111.423 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.8 t80 -61.07 -55.3 34.26 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 124.122 0.969 . . . . 10.0 111.609 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.774 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.0 pp0? -65.67 -25.98 67.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.785 0.802 . . . . 10.0 111.276 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -65.83 -50.13 65.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 124.579 1.152 . . . . 10.0 111.2 169.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.29 -37.69 83.82 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.168 0.987 . . . . 10.0 112.52 -178.329 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -53.58 -35.97 61.41 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 129.675 3.19 . . . . 10.0 110.637 168.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.19 -42.62 23.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 170.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -58.63 -34.44 71.19 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.289 0.949 . . . . 10.0 112.331 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -34.58 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.692 1.197 . . . . 10.0 111.058 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -74.68 -25.86 59.45 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.039 0.536 . . . . 10.0 112.416 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.96 -38.55 69.75 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.112 1.765 . . . . 10.0 111.536 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 -54.99 -44.16 74.23 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 168.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -39.31 93.93 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 126.976 2.111 . . . . 10.0 112.845 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.73 -44.16 86.83 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.448 1.499 . . . . 10.0 111.024 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.79 97.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.105 1.762 . . . . 10.0 111.442 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -79.15 25.75 0.29 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.455 1.502 . . . . 10.0 113.537 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -141.05 18.12 2.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.247 3.019 . . . . 10.0 109.669 168.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -122.32 -51.32 1.98 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 127.478 2.311 . . . . 10.0 110.333 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -49.81 -43.05 48.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.708 2.003 . . . . 10.0 113.645 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.1 -28.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 130.535 3.534 . . . . 10.0 113.588 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -115.06 15.96 17.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 130.447 3.499 . . . . 10.0 112.404 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.8 t -115.8 -33.22 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 129.493 3.117 . . . . 10.0 110.258 173.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -64.94 -20.19 66.34 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -63.49 -35.54 80.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.438 1.895 . . . . 10.0 110.716 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.63 -33.48 60.5 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.554 1.542 . . . . 10.0 113.152 172.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.98 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 122.268 1.033 . . . . 10.0 111.138 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.2 -32.88 74.79 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 120.326 -1.484 . . . . 10.0 113.484 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -29.54 70.52 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.757 -1.215 . . . . 10.0 111.466 169.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.13 69.1 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.803 -1.185 . . . . 10.0 112.26 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.69 -37.84 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.719 1.208 . . . . 10.0 110.805 170.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.03 -42.4 90.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.654 1.581 . . . . 10.0 111.798 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -66.63 -4.61 9.12 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 169.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -114.81 6.97 15.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.348 2.259 . . . . 10.0 112.349 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.12 -24.67 63.18 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.838 1.655 . . . . 10.0 115.186 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -143.0 152.15 41.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.503 1.121 . . . . 10.0 112.012 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -79.14 -6.72 57.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.919 1.452 . . . . 10.0 114.919 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -149.06 157.66 43.58 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.33 1.452 . . . . 10.0 111.597 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.905 1.682 . . . . 10.0 111.062 179.742 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpt . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.59 159.61 16.74 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.859 1.314 . . . . 10.0 113.054 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -85.71 153.49 58.12 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 112.781 -2.008 . . . . 10.0 108.007 167.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.55 -39.75 89.21 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 N-CA-C 116.386 1.649 . . . . 10.0 116.386 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 -150.71 -61.46 0.19 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -50.0 -22.64 1.65 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 118.947 2.943 . . . . 10.0 118.947 -168.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.36 1.5 82.23 Favored Glycine 0 CA--C 1.539 1.58 0 CA-C-N 119.828 1.195 . . . . 10.0 114.842 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -143.02 -40.1 0.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.867 2.067 . . . . 10.0 113.569 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.46 -42.83 67.59 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.102 1.761 . . . . 10.0 114.18 -169.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.33 -25.84 59.99 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -172.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -97.51 -41.62 8.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.022 0.929 . . . . 10.0 113.014 169.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.95 -47.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.407 1.483 . . . . 10.0 112.19 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -64.45 -47.57 78.54 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.758 1.223 . . . . 10.0 111.804 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.13 -32.57 72.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 119.284 -0.966 . . . . 10.0 112.371 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -66.11 -40.21 90.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.81 2.044 . . . . 10.0 112.295 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -18.33 60.69 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 115.72 1.748 . . . . 10.0 115.72 177.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -35.92 -39.13 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 118.552 2.797 . . . . 10.0 118.552 -168.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -105.31 -25.06 12.56 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 -40.73 69.49 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 120.685 -1.259 . . . . 10.0 111.271 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.96 -37.1 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 125.374 1.47 . . . . 10.0 111.594 169.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 8.1 t70 -74.05 -22.61 59.48 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.527 0.936 . . . . 10.0 113.527 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.6 -27.09 64.8 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 120.054 1.297 . . . . 10.0 110.818 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.75 -45.35 17.2 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 170.035 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 72.5 tp60 -54.43 -48.04 72.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.116 1.766 . . . . 10.0 111.971 172.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -57.71 -43.88 85.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.406 1.003 . . . . 10.0 110.012 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.73 -52.36 65.76 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.203 1.401 . . . . 10.0 114.318 170.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.01 -37.5 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.785 1.175 . . . . 10.0 111.463 177.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -70.52 -27.68 64.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.035 0.934 . . . . 10.0 111.048 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.04 -28.84 43.28 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.972 -1.08 . . . . 10.0 111.201 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.9 92.5 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.618 -1.301 . . . . 10.0 109.562 167.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.71 -29.57 68.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.704 1.602 . . . . 10.0 113.076 169.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.57 -31.86 68.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 121.402 1.91 . . . . 10.0 109.228 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.36 -44.26 46.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.913 1.285 . . . . 10.0 111.336 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.65 -19.82 61.37 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.051 -1.031 . . . . 10.0 111.88 -175.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.72 -23.17 36.92 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 125.885 1.674 . . . . 10.0 110.315 169.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.78 -52.24 7.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.684 2.394 . . . . 10.0 116.184 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.3 tttt -140.44 48.28 1.37 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 127.205 2.202 . . . . 10.0 110.007 -175.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.6 Cg_exo -16.37 -90.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 2 N-CA-C 123.975 4.567 . . . . 10.0 123.975 -165.56 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.06 9.43 1.97 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.001 1.111 . . . . 10.0 114.001 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.73 107.72 0.81 Allowed Pre-proline 0 C--N 1.347 0.473 0 N-CA-C 106.147 -1.797 . . . . 10.0 106.147 167.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.05 -24.38 39.03 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 N-CA-C 114.884 1.071 . . . . 10.0 114.884 -167.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.01 93.99 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.018 0.827 . . . . 10.0 112.008 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.53 20.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.17 -35.03 79.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.776 1.171 . . . . 10.0 109.893 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.85 -27.66 55.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.805 1.184 . . . . 10.0 111.891 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.25 80.66 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.475 -0.766 . . . . 10.0 111.125 169.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.428 ' CB ' HD12 ' A' ' 34' ' ' LEU . 49.2 t80 -60.86 -54.95 38.8 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.158 -0.964 . . . . 10.0 111.71 170.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.9 pp0? -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.86 0.838 . . . . 10.0 111.066 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -66.45 -49.6 66.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.575 1.15 . . . . 10.0 111.27 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.76 -38.18 83.1 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.692 1.197 . . . . 10.0 112.63 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.31 -36.34 61.14 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 129.479 3.111 . . . . 10.0 110.457 168.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -80.11 -42.38 23.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.216 0.821 . . . . 10.0 113.216 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -57.74 -35.41 70.67 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.699 1.136 . . . . 10.0 112.25 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -33.42 74.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.798 1.239 . . . . 10.0 111.305 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -78.02 -22.63 48.94 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.371 0.669 . . . . 10.0 112.695 169.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -74.3 -38.88 63.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.707 2.003 . . . . 10.0 111.245 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.1 t80 -54.63 -42.39 71.16 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.454 1.121 . . . . 10.0 108.196 168.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -66.23 -39.26 89.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.296 2.638 . . . . 10.0 113.308 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -66.1 -42.1 89.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.776 1.63 . . . . 10.0 111.18 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.899 1.68 . . . . 10.0 110.369 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -79.29 30.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 123.508 1.623 . . . . 10.0 113.773 168.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 t -142.29 12.75 1.98 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 129.996 3.318 . . . . 10.0 110.505 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -123.07 -48.71 1.98 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 127.918 2.487 . . . . 10.0 111.117 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.3 t -55.47 -35.96 66.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.279 1.831 . . . . 10.0 113.358 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.8 t -53.48 -32.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 129.899 3.28 . . . . 10.0 112.819 170.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -101.23 11.38 39.47 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 129.857 3.263 . . . . 10.0 112.797 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -116.63 -33.47 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 129.196 2.998 . . . . 10.0 111.298 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.08 -25.93 65.78 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 167.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.13 -31.29 61.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.647 2.779 . . . . 10.0 112.194 167.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.02 -32.04 50.85 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.85 1.66 . . . . 10.0 113.647 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 -44.04 86.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.237 1.018 . . . . 10.0 108.888 169.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.48 -31.74 72.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 124.588 1.155 . . . . 10.0 113.108 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.74 73.01 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.09 -1.006 . . . . 10.0 111.044 168.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.38 71.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.855 -1.153 . . . . 10.0 112.427 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.98 -37.9 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.195 0.998 . . . . 10.0 110.317 169.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.75 -45.21 92.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.138 1.375 . . . . 10.0 111.884 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.78 -38.51 82.04 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.119 0.872 . . . . 10.0 112.607 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.96 -43.24 99.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.787 0.835 . . . . 10.0 112.058 173.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -56.03 -38.02 69.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.754 1.222 . . . . 10.0 113.722 -171.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -55.47 -14.96 2.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.276 1.584 . . . . 10.0 115.276 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -16.75 6.39 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.366 1.617 . . . . 10.0 115.366 173.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -77.29 -15.78 59.28 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.066 1.346 . . . . 10.0 113.214 -178.49 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.315 0.117 . . . . 10.0 111.315 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.23 157.3 26.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.523 1.63 . . . . 10.0 114.872 176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 19.0 p -88.0 151.83 50.01 Favored Pre-proline 0 N--CA 1.443 -0.82 0 CA-C-N 111.94 -2.391 . . . . 10.0 107.714 167.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 53.1 Cg_exo -54.54 -28.51 55.56 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 N-CA-C 117.813 2.197 . . . . 10.0 117.813 -168.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -142.54 -2.62 1.07 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -108.83 -3.17 17.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.259 0.936 . . . . 10.0 113.355 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.77 -37.36 0.36 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.511 1.529 . . . . 10.0 112.494 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.6 -50.03 72.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.234 1.017 . . . . 10.0 111.924 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.17 -41.17 78.74 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.96 0.904 . . . . 10.0 111.709 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.14 -5.44 6.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.769 1.227 . . . . 10.0 113.907 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -107.29 -35.68 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.434 1.494 . . . . 10.0 112.068 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.28 -56.11 10.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 125.738 1.615 . . . . 10.0 111.948 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.9 t -63.7 -37.3 86.85 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.663 1.185 . . . . 10.0 111.742 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.71 74.9 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 4.6 ptmt -58.55 -17.29 20.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.24 1.416 . . . . 10.0 113.844 174.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CD2' ' HG2' ' A' ' 15' ' ' LYS . 40.8 m-85 -114.85 4.3 14.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 10.0 115.496 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.67 -15.9 22.73 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.817 1.784 . . . . 10.0 115.817 -169.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -97.14 -30.44 13.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.203 1.401 . . . . 10.0 114.157 171.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.58 -43.03 38.15 Favored Glycine 0 N--CA 1.473 1.133 0 O-C-N 120.664 -1.272 . . . . 10.0 111.799 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 57' ' ' TYR . 8.9 p -58.13 -37.09 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 C-N-CA 124.399 1.08 . . . . 10.0 111.865 169.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.79 -20.01 61.92 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 113.77 1.026 . . . . 10.0 113.77 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.29 -26.49 63.83 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.371 1.442 . . . . 10.0 110.341 167.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.35 -46.04 16.74 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.505 0.722 . . . . 10.0 112.302 169.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.06 -47.17 81.62 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.385 1.474 . . . . 10.0 112.014 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.88 -45.22 82.67 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.441 1.097 . . . . 10.0 109.845 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.77 68.39 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.23 1.412 . . . . 10.0 114.247 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.61 -37.88 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.113 0.87 . . . . 10.0 111.066 177.279 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 m -68.91 -28.0 66.28 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 123.58 0.752 . . . . 10.0 111.305 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.677 -1.264 . . . . 10.0 111.126 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.62 90.94 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.669 -1.269 . . . . 10.0 109.553 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.57 -29.83 68.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.624 1.57 . . . . 10.0 113.228 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.73 -31.28 68.16 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.232 1.833 . . . . 10.0 109.225 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -76.28 -44.28 37.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.906 1.282 . . . . 10.0 111.494 169.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.3 -19.65 61.64 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.076 -1.015 . . . . 10.0 111.876 -175.517 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.97 -23.21 36.2 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 125.997 1.719 . . . . 10.0 110.411 169.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -51.57 8.5 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.683 2.393 . . . . 10.0 116.33 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 40.4 tttm -140.81 46.67 0.95 Allowed Pre-proline 0 N--CA 1.49 1.566 0 C-N-CA 127.298 2.239 . . . . 10.0 110.26 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.587 6.4 Cg_exo -14.66 -92.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.173 2 N-CA-C 123.943 4.555 . . . . 10.0 123.943 -165.43 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.4 p -74.34 9.23 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.645 1.111 . . . . 10.0 113.982 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -48.36 107.31 0.73 Allowed Pre-proline 0 C--N 1.347 0.491 0 N-CA-C 106.296 -1.742 . . . . 10.0 106.296 167.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.68 -24.61 41.06 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 N-CA-C 114.737 1.014 . . . . 10.0 114.737 -167.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.51 95.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.087 0.858 . . . . 10.0 112.076 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.63 19.82 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 170.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.47 -34.56 78.03 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.627 1.103 . . . . 10.0 109.622 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.68 -27.65 55.63 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 120.747 -1.221 . . . . 10.0 111.973 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.6 -35.38 78.87 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.368 -0.832 . . . . 10.0 111.321 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.2 t80 -61.82 -54.79 37.34 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 124.057 0.943 . . . . 10.0 111.728 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.779 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.6 pp0? -64.74 -26.57 68.42 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.667 0.746 . . . . 10.0 111.293 -177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -65.91 -48.04 72.76 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.411 1.085 . . . . 10.0 111.846 169.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -69.73 -36.99 76.35 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.024 0.929 . . . . 10.0 112.607 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.61 -41.81 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 128.802 2.841 . . . . 10.0 109.304 168.399 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 m -72.58 -42.0 65.06 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -61.36 -35.1 76.51 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.183 0.901 . . . . 10.0 112.339 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -70.93 -36.7 72.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.927 0.891 . . . . 10.0 109.779 175.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -25.21 64.77 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 169.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.12 -41.3 64.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.257 2.223 . . . . 10.0 110.617 169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' HG23 ' A' ' 20' ' ' VAL . 22.9 t80 -54.55 -41.65 70.03 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 107.677 -1.231 . . . . 10.0 107.677 168.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.91 74.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.27 2.228 . . . . 10.0 114.158 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -65.58 -44.94 85.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.659 1.584 . . . . 10.0 110.489 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.74 99.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.381 1.872 . . . . 10.0 111.355 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.08 35.2 0.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 123.823 1.773 . . . . 10.0 113.836 169.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 t -144.32 9.37 1.42 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.243 3.417 . . . . 10.0 110.226 168.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -116.47 -50.86 2.62 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 127.714 2.406 . . . . 10.0 110.51 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -56.84 -35.66 69.09 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 10.0 114.147 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' H ' HG23 ' A' ' 65' ' ' VAL . 3.0 t -57.12 -47.67 83.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 128.202 2.601 . . . . 10.0 111.073 171.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.73 7.11 3.29 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 129.084 2.953 . . . . 10.0 113.361 172.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -35.9 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 128.623 2.769 . . . . 10.0 111.286 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -66.34 -20.59 66.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 107.015 -1.476 . . . . 10.0 107.015 166.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -35.85 79.82 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.213 -1.554 . . . . 10.0 110.185 166.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.99 -34.44 64.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.366 1.466 . . . . 10.0 113.265 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -42.58 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 122.032 0.92 . . . . 10.0 111.115 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.92 -33.76 76.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 120.453 -1.404 . . . . 10.0 113.45 171.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.82 -6.79 13.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.992 1.317 . . . . 10.0 113.361 169.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.54 -32.88 9.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.07 2.148 . . . . 10.0 110.914 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.35 -34.58 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.044 0.938 . . . . 10.0 108.913 168.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.01 -35.1 32.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 128.571 2.748 . . . . 10.0 112.768 169.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -91.68 2.86 56.19 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.276 2.231 . . . . 10.0 113.182 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -119.08 -27.91 5.61 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.626 1.97 . . . . 10.0 112.731 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.0 136.39 52.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.786 2.034 . . . . 10.0 113.942 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -145.39 18.7 1.54 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.295 1.438 . . . . 10.0 112.22 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -90.7 15.43 11.1 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.1 1.36 . . . . 10.0 112.891 -175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -61.13 162.35 7.45 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.657 1.583 . . . . 10.0 113.731 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.21 1.804 . . . . 10.0 110.991 177.617 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.46 161.85 41.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 123.311 1.529 . . . . 10.0 113.235 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -78.14 156.94 78.98 Favored Pre-proline 0 N--CA 1.443 -0.808 0 CA-C-N 112.109 -2.314 . . . . 10.0 107.316 166.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.08 -22.63 48.32 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 N-CA-C 118.249 2.365 . . . . 10.0 118.249 -169.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -136.62 -27.26 1.05 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -62.33 -21.83 65.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.696 1.589 . . . . 10.0 114.319 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.51 -2.05 82.76 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.93 1.252 . . . . 10.0 115.263 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -144.08 8.12 1.42 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.517 1.527 . . . . 10.0 114.032 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -51.22 -44.47 61.64 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.507 1.923 . . . . 10.0 113.176 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -71.51 11.95 0.41 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -122.19 -46.79 2.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.573 1.949 . . . . 10.0 109.582 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.2 -43.73 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 125.91 1.684 . . . . 10.0 113.262 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 t -79.16 -38.84 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.827 0.851 . . . . 10.0 111.102 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.34 -22.95 64.65 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -173.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.518 1.127 . . . . 10.0 111.802 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -46.45 63.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.892 1.277 . . . . 10.0 111.153 170.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.41 -21.1 66.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.808 1.411 . . . . 10.0 114.808 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -98.84 -30.83 12.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.604 1.162 . . . . 10.0 113.539 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.89 83.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 120.974 -1.079 . . . . 10.0 112.382 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG23 ' CD2' ' A' ' 57' ' ' TYR . 1.7 p -59.32 -39.33 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 C-N-CA 124.997 1.319 . . . . 10.0 112.065 170.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -70.37 -21.97 62.81 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.373 0.879 . . . . 10.0 113.373 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -69.61 -27.63 65.25 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.231 1.378 . . . . 10.0 111.374 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -79.98 -44.6 19.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.498 0.719 . . . . 10.0 111.664 169.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -58.0 -46.98 84.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.218 1.407 . . . . 10.0 112.072 176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.51 -46.01 84.29 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.586 1.154 . . . . 10.0 109.843 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 14.4 mt-30 -58.95 -49.42 77.9 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.548 1.539 . . . . 10.0 114.826 174.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 50' ' ' LYS . 1.1 m -66.95 -36.66 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 120.797 -1.189 . . . . 10.0 112.052 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -66.69 -27.52 67.72 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.08 0.552 . . . . 10.0 110.907 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.66 -28.7 40.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.015 -1.053 . . . . 10.0 111.583 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.62 97.31 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.553 -1.342 . . . . 10.0 108.993 167.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.25 -30.17 70.55 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.272 1.429 . . . . 10.0 112.911 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.43 -34.27 72.29 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 121.769 2.077 . . . . 10.0 109.374 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.6 -43.47 69.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.192 0.997 . . . . 10.0 111.144 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -20.25 60.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.316 1.055 . . . . 10.0 111.787 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -23.15 38.91 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 126.025 1.73 . . . . 10.0 109.928 169.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.63 5.41 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.117 2.567 . . . . 10.0 116.543 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' A' ' 43' ' ' LEU . 66.1 tttt -138.16 49.13 2.3 Favored Pre-proline 0 N--CA 1.491 1.596 0 C-N-CA 127.477 2.311 . . . . 10.0 109.847 -176.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -16.89 -89.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.265 2 N-CA-C 123.88 4.531 . . . . 10.0 123.88 -165.501 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -76.33 10.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.52 107.58 0.81 Allowed Pre-proline 0 C--N 1.348 0.528 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 167.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.17 -24.06 44.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 N-CA-C 115.704 1.386 . . . . 10.0 115.704 -166.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.1 75.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.945 0.793 . . . . 10.0 112.397 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.05 -42.0 24.59 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.147 0.885 . . . . 10.0 112.792 170.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.44 -44.96 93.04 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.673 -1.156 . . . . 10.0 108.995 -179.502 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -75.33 -19.84 59.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 121.828 2.104 . . . . 10.0 112.123 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.43 79.7 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.303 0.956 . . . . 10.0 109.436 167.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -61.85 -51.86 66.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 118.67 -0.681 . . . . 10.0 109.641 168.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HA ' HD13 ' A' ' 51' ' ' LEU . 43.6 mm-40 -55.54 -31.47 62.14 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.248 1.019 . . . . 10.0 112.288 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 t -76.0 -48.79 19.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.908 1.283 . . . . 10.0 112.009 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 26.6 mmmt -66.47 -36.0 81.68 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -49.35 -40.78 36.76 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 128.738 2.815 . . . . 10.0 110.283 168.703 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -80.34 -38.61 30.21 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 114.984 1.475 . . . . 10.0 114.984 171.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.52 -30.68 68.76 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.591 1.541 . . . . 10.0 112.086 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -39.29 75.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.06 -1.025 . . . . 10.0 110.703 175.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.99 -24.22 60.74 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.453 -0.779 . . . . 10.0 112.492 169.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -35.59 67.05 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 126.043 1.737 . . . . 10.0 111.521 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' CD2' HG23 ' A' ' 20' ' ' VAL . 4.8 t80 -56.15 -43.42 78.25 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 168.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.26 96.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.565 2.346 . . . . 10.0 111.672 174.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.35 -44.8 86.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.437 1.495 . . . . 10.0 112.049 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.58 92.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.631 1.973 . . . . 10.0 110.579 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.2 tp-100 -77.01 25.74 0.15 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.488 1.915 . . . . 10.0 114.11 169.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -145.28 21.86 1.53 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.236 3.014 . . . . 10.0 110.173 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -131.59 -49.2 0.97 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.874 2.47 . . . . 10.0 110.315 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.8 t -51.0 -41.22 59.62 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.829 2.052 . . . . 10.0 113.209 169.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -51.82 -25.92 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 131.028 3.731 . . . . 10.0 113.941 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -121.6 12.37 10.71 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.56 3.544 . . . . 10.0 111.618 -174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 3.5 t -115.46 -32.45 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 C-N-CA 130.299 3.44 . . . . 10.0 110.378 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -55.14 -34.64 63.93 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 107.876 -1.157 . . . . 10.0 107.876 167.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.38 -36.47 66.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.973 3.309 . . . . 10.0 113.221 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.51 -33.84 47.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.969 1.707 . . . . 10.0 113.122 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.03 -44.08 99.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 169.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.55 -34.24 77.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.54 1.136 . . . . 10.0 113.358 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.68 72.93 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.033 -1.042 . . . . 10.0 111.17 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.09 62.62 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.495 1.118 . . . . 10.0 112.832 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.48 -43.92 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.885 -1.134 . . . . 10.0 109.393 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.03 -44.03 78.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.896 1.679 . . . . 10.0 111.495 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.59 -36.32 83.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.505 1.522 . . . . 10.0 113.15 173.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -70.03 -36.84 75.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.698 1.599 . . . . 10.0 112.882 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.96 154.92 28.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.753 1.221 . . . . 10.0 112.406 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -54.81 132.38 46.03 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.608 0.763 . . . . 10.0 111.617 170.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -155.64 -45.64 0.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.458 1.103 . . . . 10.0 112.508 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -134.24 -17.43 2.08 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 10.0 113.613 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 127.006 2.122 . . . . 10.0 110.767 -176.173 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.333 0.111 . . . . 10.0 111.293 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.86 157.98 43.96 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 123.172 1.463 . . . . 10.0 112.918 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p -79.54 148.07 69.05 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 112.484 -2.143 . . . . 10.0 109.264 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.22 131.11 29.15 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 120.649 0.899 . . . . 10.0 113.39 -170.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -57.13 -32.11 66.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.749 1.219 . . . . 10.0 113.177 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -61.63 -21.35 64.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.404 1.482 . . . . 10.0 114.576 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.87 -5.19 68.62 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.273 1.416 . . . . 10.0 114.483 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.81 8.83 3.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.179 2.192 . . . . 10.0 113.028 -175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.23 -42.37 73.3 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.55 1.54 . . . . 10.0 113.061 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.38 7.75 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -117.51 -53.96 2.4 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.2 1.8 . . . . 10.0 108.51 168.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.93 -37.77 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 126.603 1.961 . . . . 10.0 113.315 -172.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -84.52 -43.3 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.57 0.748 . . . . 10.0 111.386 170.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.98 72.64 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -170.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -54.84 -10.41 0.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.573 3.549 . . . . 10.0 115.674 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -134.74 -23.07 1.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.356 2.262 . . . . 10.0 113.795 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -26.11 -69.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 129.243 3.017 . . . . 10.0 117.861 -168.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -72.41 -30.59 64.78 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -169.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.81 -39.98 12.86 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 121.582 -0.699 . . . . 10.0 111.491 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -40.48 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 118.723 -0.656 . . . . 10.0 110.173 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.69 -26.39 65.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -69.22 -25.49 64.34 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 120.18 1.355 . . . . 10.0 112.798 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -84.89 -41.65 15.77 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.123 0.969 . . . . 10.0 112.856 170.115 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -59.28 -46.22 89.12 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 127.834 2.454 . . . . 10.0 111.334 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -56.22 -45.46 79.91 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.568 1.147 . . . . 10.0 109.542 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.3 -51.63 69.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 10.0 114.511 172.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.2 -37.33 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.528 1.058 . . . . 10.0 110.939 177.378 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 m -69.7 -28.35 65.76 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 123.974 0.909 . . . . 10.0 111.343 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.85 -28.96 44.33 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 120.798 -1.189 . . . . 10.0 111.106 173.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.38 90.77 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.636 -1.29 . . . . 10.0 109.664 167.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.01 -30.23 68.57 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.919 1.687 . . . . 10.0 113.282 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.34 -30.36 66.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 121.105 1.775 . . . . 10.0 109.317 171.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -77.17 -44.42 30.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.909 1.284 . . . . 10.0 111.581 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.82 -20.26 61.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.944 -1.097 . . . . 10.0 111.643 -175.103 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.51 40.25 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 125.595 1.558 . . . . 10.0 110.178 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -56.6 4.02 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.505 2.322 . . . . 10.0 115.893 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -136.52 70.91 59.8 Favored Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 126.679 1.992 . . . . 10.0 109.058 177.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.429 3.5 Cg_exo -37.38 -77.52 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.293 3.92 . . . . 10.0 122.293 -166.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -82.41 12.39 4.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.857 -1.152 . . . . 10.0 113.533 -171.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.2 108.87 1.22 Allowed Pre-proline 0 N--CA 1.47 0.547 0 N-CA-C 105.509 -2.034 . . . . 10.0 105.509 167.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.61 -23.6 36.51 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 CA-C-N 119.806 0.966 . . . . 10.0 114.487 -167.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.46 94.62 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 0.841 . . . . 10.0 112.044 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.52 -43.25 21.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 171.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -65.42 -34.36 78.11 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.694 1.134 . . . . 10.0 109.964 -179.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.42 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 119.834 1.197 . . . . 10.0 111.56 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.49 87.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.218 -0.926 . . . . 10.0 111.339 169.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' HD12 ' A' ' 34' ' ' LEU . 59.0 t80 -60.15 -55.11 37.83 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 124.049 0.94 . . . . 10.0 111.661 170.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.261 0.0 OUTLIER -66.42 -23.74 66.35 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.109 0.88 . . . . 10.0 111.209 -175.641 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t -66.41 -52.08 50.33 Favored 'General case' 0 N--CA 1.461 0.088 0 C-N-CA 125.19 1.396 . . . . 10.0 110.798 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.43 -37.37 85.03 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.838 1.255 . . . . 10.0 112.479 -177.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.6 -36.46 61.99 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.663 3.185 . . . . 10.0 110.82 168.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.17 -42.11 24.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.304 0.853 . . . . 10.0 113.304 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -58.63 -34.52 71.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.202 0.91 . . . . 10.0 112.346 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -34.35 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.658 1.183 . . . . 10.0 111.022 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -25.71 59.89 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 121.71 -0.619 . . . . 10.0 112.551 169.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.0 -38.64 69.6 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.065 1.746 . . . . 10.0 111.273 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 17.4 t80 -55.46 -44.26 76.24 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 168.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -39.67 94.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.723 2.009 . . . . 10.0 112.684 175.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.65 -43.72 88.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.616 1.566 . . . . 10.0 111.233 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.02 99.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.075 1.75 . . . . 10.0 111.175 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 tp60 -78.36 27.37 0.2 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 123.629 1.68 . . . . 10.0 113.404 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -144.87 23.22 1.56 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 129.535 3.134 . . . . 10.0 109.704 168.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -130.35 -49.58 1.09 Allowed 'General case' 0 C--N 1.343 0.298 0 C-N-CA 127.699 2.4 . . . . 10.0 110.793 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -51.06 -40.74 59.04 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.404 1.881 . . . . 10.0 113.825 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.51 -28.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 130.724 3.609 . . . . 10.0 113.477 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -115.75 13.18 16.12 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 130.263 3.425 . . . . 10.0 111.549 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 t -117.28 -35.17 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 C-N-CA 129.839 3.255 . . . . 10.0 110.434 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -64.49 -22.41 66.95 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.566 -1.272 . . . . 10.0 107.566 166.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -59.64 -37.85 79.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.811 1.644 . . . . 10.0 110.09 167.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -32.87 49.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.105 1.762 . . . . 10.0 112.809 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -42.87 92.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.94 0.876 . . . . 10.0 110.41 169.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.96 -34.42 78.38 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.499 -1.376 . . . . 10.0 113.521 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -19.92 65.88 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.294 -0.879 . . . . 10.0 112.286 169.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.86 -35.92 25.86 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.635 1.174 . . . . 10.0 111.346 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.1 -39.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.386 1.074 . . . . 10.0 110.05 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.31 -43.57 71.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.629 2.372 . . . . 10.0 112.263 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.27 -46.85 59.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.955 1.302 . . . . 10.0 111.758 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -54.87 -33.1 61.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.824 1.25 . . . . 10.0 113.436 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -51.7 -27.88 13.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.783 1.633 . . . . 10.0 114.821 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -103.04 3.1 35.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -143.35 18.84 1.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -58.82 -30.69 67.83 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.4 1.48 . . . . 10.0 113.871 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.5 m80 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.865 2.066 . . . . 10.0 111.182 175.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 118.981 -0.533 . . . . 10.0 110.354 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.87 162.95 37.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 123.205 1.479 . . . . 10.0 113.665 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -85.95 164.94 37.1 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 112.212 -2.267 . . . . 10.0 106.252 166.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.28 -10.58 8.75 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 121.664 1.576 . . . . 10.0 116.063 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -118.53 -26.33 6.22 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 116.131 1.901 . . . . 10.0 116.131 172.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -69.78 -23.7 63.39 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 122.065 2.212 . . . . 10.0 114.041 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 -4.28 74.37 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.791 1.186 . . . . 10.0 114.859 177.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -141.33 13.3 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.531 2.333 . . . . 10.0 112.279 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 13' ' ' SER . 58.2 tp -41.75 -55.97 2.82 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 127.761 2.424 . . . . 10.0 115.948 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.31 5.07 6.06 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -170.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.69 -31.73 4.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.417 1.487 . . . . 10.0 112.241 169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.16 -65.54 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 125.236 1.414 . . . . 10.0 110.723 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 9' ' ' LEU . 33.4 t -59.69 -34.69 73.2 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.729 1.212 . . . . 10.0 112.441 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.65 76.74 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.224 0.824 . . . . 10.0 113.224 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -14.93 33.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.97 2.108 . . . . 10.0 114.087 173.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -123.67 6.07 8.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.003 2.521 . . . . 10.0 114.073 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.34 -16.31 8.57 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 116.629 2.085 . . . . 10.0 116.629 -168.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -104.09 -20.2 13.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.11 1.364 . . . . 10.0 114.592 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.76 -40.4 6.3 Favored Glycine 0 N--CA 1.476 1.322 0 O-C-N 121.278 -0.888 . . . . 10.0 111.282 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -56.18 -36.28 45.17 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 C-N-CA 124.383 1.073 . . . . 10.0 110.912 168.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 15.9 t70 -68.46 -20.18 64.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.364 1.065 . . . . 10.0 113.66 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.3 -27.63 64.54 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 120.213 1.37 . . . . 10.0 111.288 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.78 -45.76 16.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.618 0.767 . . . . 10.0 112.117 169.656 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 2.6 tp-100 -57.19 -45.06 84.08 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.486 1.515 . . . . 10.0 112.003 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -58.26 -45.21 88.26 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.253 1.021 . . . . 10.0 110.07 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.37 -52.38 65.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.138 1.375 . . . . 10.0 113.833 172.529 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.13 -37.67 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 119.29 0.95 . . . . 10.0 111.307 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.8 m -69.14 -28.15 66.19 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.49 0.716 . . . . 10.0 111.31 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.98 -28.73 43.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.803 -1.185 . . . . 10.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.94 91.58 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.734 -1.229 . . . . 10.0 109.515 167.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.42 -30.13 68.96 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.647 1.579 . . . . 10.0 113.243 169.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -31.17 67.86 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.2 1.818 . . . . 10.0 109.203 171.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -76.12 -44.12 40.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.755 1.222 . . . . 10.0 111.504 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.31 -20.4 60.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.958 -1.089 . . . . 10.0 111.748 -174.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.47 40.55 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.678 1.591 . . . . 10.0 110.028 169.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -56.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.54 2.336 . . . . 10.0 115.984 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.28 69.02 62.41 Favored Pre-proline 0 N--CA 1.485 1.294 0 C-N-CA 126.819 2.047 . . . . 10.0 109.407 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.44 5.0 Cg_exo -36.09 -78.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.454 0 N-CA-C 122.403 3.963 . . . . 10.0 122.403 -166.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.4 p -82.1 12.17 4.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 119.882 1.219 . . . . 10.0 113.431 -170.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.93 108.66 1.15 Allowed Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 167.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.58 -23.61 36.66 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 CA-C-N 119.826 0.974 . . . . 10.0 114.363 -167.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.28 94.82 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.144 0.884 . . . . 10.0 112.067 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.3 pp -80.49 -43.78 20.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 170.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.96 -34.54 78.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.721 1.146 . . . . 10.0 109.897 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.42 53.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.72 1.145 . . . . 10.0 111.712 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.79 81.77 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.392 -0.818 . . . . 10.0 111.124 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.1 t80 -60.56 -54.85 40.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 121.211 -0.93 . . . . 10.0 111.596 170.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.759 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.3 pp0? -65.92 -25.4 67.12 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 124.075 0.859 . . . . 10.0 110.809 -176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -66.17 -48.69 69.92 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.744 1.218 . . . . 10.0 111.62 169.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -68.47 -36.52 79.09 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.726 1.21 . . . . 10.0 112.581 -178.745 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -54.76 -39.15 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.184 2.994 . . . . 10.0 110.079 168.83 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -76.29 -39.32 54.53 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 169.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.28 -35.01 76.13 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.266 1.393 . . . . 10.0 112.253 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -70.39 -38.41 74.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.209 1.004 . . . . 10.0 109.891 176.08 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -65.63 -28.25 68.98 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.286 1.034 . . . . 10.0 112.391 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -73.69 -40.01 63.95 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 127.547 2.339 . . . . 10.0 111.715 169.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 -55.08 -45.24 75.39 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -37.42 87.19 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.04 2.536 . . . . 10.0 112.81 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.24 -43.83 77.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.677 1.591 . . . . 10.0 110.965 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.25 97.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.189 1.795 . . . . 10.0 110.695 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.52 25.49 0.25 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.97 2.108 . . . . 10.0 113.307 168.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.35 24.39 1.27 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.977 2.911 . . . . 10.0 108.94 168.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -126.1 -52.29 1.53 Allowed 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 127.973 2.509 . . . . 10.0 110.117 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -49.93 -43.04 49.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.716 2.006 . . . . 10.0 114.374 169.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.72 -30.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 130.037 3.335 . . . . 10.0 113.115 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -106.79 14.54 26.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.115 3.366 . . . . 10.0 112.437 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -116.88 -36.23 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 128.726 2.81 . . . . 10.0 110.91 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -61.72 -31.02 71.15 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 107.448 -1.316 . . . . 10.0 107.448 166.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.41 -26.97 65.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 128.32 2.648 . . . . 10.0 112.408 167.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.48 -32.84 54.54 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.484 1.514 . . . . 10.0 113.423 174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 mp -67.14 -44.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-O 122.269 1.033 . . . . 10.0 109.271 169.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.85 -31.12 71.52 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.817 1.247 . . . . 10.0 113.2 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.37 68.87 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.565 -1.335 . . . . 10.0 110.982 169.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' ILE . . . -67.95 -36.45 80.13 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.617 -1.302 . . . . 10.0 111.361 169.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.7 -40.2 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.003 1.321 . . . . 10.0 110.628 171.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.01 97.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.879 1.671 . . . . 10.0 111.713 173.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.9 -37.09 83.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.396 -0.815 . . . . 10.0 112.368 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.39 -21.87 64.67 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.683 1.193 . . . . 10.0 113.595 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -74.09 -11.79 60.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.738 1.615 . . . . 10.0 113.92 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -57.21 143.43 39.23 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.881 -1.137 . . . . 10.0 113.225 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -135.58 138.95 43.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.449 1.899 . . . . 10.0 109.058 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -65.43 133.47 51.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.265 0.626 . . . . 10.0 112.119 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.675 1.59 . . . . 10.0 111.602 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 ttm . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 110.516 -0.179 . . . . 10.0 110.516 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.99 161.72 40.79 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 123.481 1.61 . . . . 10.0 114.418 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 p -91.11 155.85 44.43 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 111.884 -2.416 . . . . 10.0 108.553 167.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -65.21 100.74 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.898 1.732 . . . . 10.0 112.522 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p90 -55.65 -46.07 77.55 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.285 1.834 . . . . 10.0 114.775 -169.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -63.94 -5.78 5.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.02 21.58 5.52 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.067 1.794 . . . . 10.0 114.199 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -149.91 -35.4 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.411 1.484 . . . . 10.0 114.255 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.26 -36.21 63.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.217 2.207 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.65 -32.06 64.98 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.322 1.23 . . . . 10.0 114.322 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.42 -36.22 20.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.11 -54.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.109 1.763 . . . . 10.0 111.584 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -65.91 -34.17 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.863 1.265 . . . . 10.0 112.017 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.07 67.22 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -58.7 -37.34 75.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 10.0 112.109 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.17 -52.18 44.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.668 1.187 . . . . 10.0 109.013 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.3 -27.34 68.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.412 1.634 . . . . 10.0 115.412 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -93.65 -31.24 14.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.174 0.989 . . . . 10.0 113.554 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -40.66 34.86 Favored Glycine 0 N--CA 1.469 0.887 0 O-C-N 121.18 -0.95 . . . . 10.0 111.96 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -40.25 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.012 0 C-N-CA 123.88 0.872 . . . . 10.0 111.269 169.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 11.6 t70 -67.27 -24.34 65.78 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 113.552 0.945 . . . . 10.0 113.552 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -69.81 -28.35 65.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.04 1.291 . . . . 10.0 112.657 169.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.81 -45.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.418 0.687 . . . . 10.0 112.504 169.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 46.3 tp60 -54.6 -47.31 73.54 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.874 2.07 . . . . 10.0 111.594 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -58.36 -45.41 88.26 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.268 1.027 . . . . 10.0 109.984 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.48 -52.25 66.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.278 1.431 . . . . 10.0 114.236 171.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.93 -37.23 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.563 1.074 . . . . 10.0 111.303 178.007 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.64 -28.2 65.7 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.739 0.816 . . . . 10.0 111.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -28.76 49.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 120.872 -1.142 . . . . 10.0 111.219 174.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.0 90.36 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.61 -1.306 . . . . 10.0 109.777 167.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.08 -29.95 69.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.591 1.556 . . . . 10.0 113.32 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.97 -30.08 67.66 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.043 1.747 . . . . 10.0 109.314 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -77.6 -44.46 28.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.238 1.415 . . . . 10.0 111.423 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.16 -19.77 61.71 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 120.972 -1.08 . . . . 10.0 111.796 -175.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.43 36.66 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.961 1.705 . . . . 10.0 110.469 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -51.35 8.69 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.604 2.361 . . . . 10.0 116.1 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.6 tttt -141.42 48.18 1.17 Allowed Pre-proline 0 N--CA 1.49 1.526 0 C-N-CA 127.236 2.214 . . . . 10.0 110.058 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.575 6.8 Cg_exo -16.44 -90.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 2 N-CA-C 123.942 4.555 . . . . 10.0 123.942 -165.402 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -75.5 10.13 1.84 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.687 1.131 . . . . 10.0 113.931 -169.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.31 108.02 0.89 Allowed Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 167.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.31 -24.62 37.19 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 N-CA-C 114.679 0.992 . . . . 10.0 114.679 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.72 95.79 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.084 0.856 . . . . 10.0 112.048 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.86 19.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 170.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.92 -34.85 78.89 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 109.74 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.88 -26.91 54.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.811 -1.18 . . . . 10.0 111.974 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.14 80.59 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.504 -0.747 . . . . 10.0 111.129 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.0 t80 -59.9 -54.57 44.56 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.044 0.938 . . . . 10.0 111.627 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.9 pp0? -65.76 -24.01 66.85 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.731 0.777 . . . . 10.0 111.334 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.5 t -66.35 -50.96 61.8 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.591 1.157 . . . . 10.0 111.298 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -67.78 -36.38 80.37 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.914 1.286 . . . . 10.0 112.688 -178.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.41 -38.76 66.61 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 129.048 2.939 . . . . 10.0 110.09 168.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -76.07 -42.61 46.94 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.43 -34.52 72.6 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.169 0.895 . . . . 10.0 112.487 175.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -36.34 74.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.849 0.86 . . . . 10.0 110.279 176.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -24.57 63.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 169.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.05 -41.64 63.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.74 2.016 . . . . 10.0 110.808 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.7 t80 -53.71 -42.01 67.59 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 168.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -33.89 73.07 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 127.017 2.127 . . . . 10.0 114.016 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.29 -46.14 81.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.962 1.305 . . . . 10.0 110.05 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.74 -46.8 86.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.218 1.807 . . . . 10.0 111.807 169.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HA ' HG22 ' A' ' 64' ' ' THR . 10.8 tp60 -84.23 40.93 0.8 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 124.179 1.942 . . . . 10.0 113.978 172.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 t -140.15 -41.2 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 130.411 3.485 . . . . 10.0 107.697 168.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.29 -50.62 72.95 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.801 1.64 . . . . 10.0 113.46 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.4 t -62.72 -37.91 88.38 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.283 2.233 . . . . 10.0 115.378 176.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 127.586 2.355 . . . . 10.0 109.613 174.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -70.86 4.81 2.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.29 3.036 . . . . 10.0 114.035 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 69' ' ' LYS . 6.8 t -114.58 -35.15 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.539 2.736 . . . . 10.0 110.838 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.08 15.39 1.15 Allowed 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 122.595 1.188 . . . . 10.0 109.146 166.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 67' ' ' VAL . 11.3 tmtt? -111.74 -29.96 7.5 Favored 'General case' 0 C--O 1.22 -0.467 1 C-N-CA 134.241 5.016 . . . . 10.0 109.734 169.169 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 -33.49 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.637 1.108 . . . . 10.0 111.512 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -24.66 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 126.181 1.793 . . . . 10.0 114.296 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -103.56 -28.21 11.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.764 2.426 . . . . 10.0 111.599 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.08 -32.64 72.29 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.671 1.188 . . . . 10.0 109.261 167.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.25 -28.32 69.94 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.689 1.995 . . . . 10.0 112.873 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -83.09 -35.06 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 126.397 1.879 . . . . 10.0 110.775 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.71 -38.87 86.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.299 1.44 . . . . 10.0 110.458 169.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.8 0.38 1.79 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 126.44 1.896 . . . . 10.0 113.223 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -129.27 9.55 5.66 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 127.988 2.515 . . . . 10.0 112.566 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.25 0.52 0.63 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 117.614 2.449 . . . . 10.0 117.614 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -63.01 -12.42 25.81 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 116.72 2.118 . . . . 10.0 116.72 -169.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -65.89 160.25 23.75 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.441 1.019 . . . . 10.0 112.694 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.57 150.09 37.12 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.219 1.007 . . . . 10.0 112.995 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.961 1.704 . . . . 10.0 111.385 177.361 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.486 1.371 0 N-CA-C 110.477 -0.194 . . . . 10.0 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.46 158.88 43.23 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 123.275 1.512 . . . . 10.0 112.949 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 10.7 p -79.57 149.69 71.95 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 112.244 -2.253 . . . . 10.0 108.573 167.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 23.4 Cg_exo -61.61 152.96 70.31 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 C-N-CA 120.817 1.011 . . . . 10.0 113.767 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -51.1 -39.99 57.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.769 1.227 . . . . 10.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -64.02 -14.9 57.68 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.776 1.398 . . . . 10.0 114.776 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 3.12 58.49 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.997 1.76 . . . . 10.0 114.503 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -135.44 -13.01 2.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.646 1.978 . . . . 10.0 113.118 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.5 tp -48.68 -46.02 39.75 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.253 2.221 . . . . 10.0 113.187 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -75.56 21.16 0.15 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.923 1.289 . . . . 10.0 114.11 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -131.21 -40.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.894 2.077 . . . . 10.0 110.266 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.09 -50.84 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.711 1.604 . . . . 10.0 112.799 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -78.98 -38.27 37.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 124.854 1.262 . . . . 10.0 111.335 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.35 65.24 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -50.92 -38.23 48.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.918 0.887 . . . . 10.0 111.427 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -58.79 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.863 1.265 . . . . 10.0 111.185 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.23 -22.6 66.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -169.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.28 -32.51 11.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.394 1.078 . . . . 10.0 112.916 171.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.79 -43.47 93.96 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 121.046 -1.034 . . . . 10.0 111.962 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG23 ' CD2' ' A' ' 57' ' ' TYR . 1.3 p -58.68 -42.09 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 C-N-CA 124.636 1.174 . . . . 10.0 111.712 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -25.63 61.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.379 0.881 . . . . 10.0 113.379 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -67.75 -26.66 66.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 120.378 1.445 . . . . 10.0 110.816 168.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.27 -46.08 16.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 170.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -56.22 -47.25 78.79 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.506 1.923 . . . . 10.0 111.905 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -58.66 -45.02 90.26 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.647 1.179 . . . . 10.0 109.939 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.56 -52.1 66.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.986 1.314 . . . . 10.0 113.816 172.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.1 -38.25 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 119.144 0.884 . . . . 10.0 110.977 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -68.17 -27.33 66.32 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.472 0.709 . . . . 10.0 111.216 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.65 -29.21 40.86 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.003 -1.06 . . . . 10.0 111.328 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.95 95.29 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.649 -1.282 . . . . 10.0 109.179 167.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.16 -29.57 68.48 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.449 1.5 . . . . 10.0 113.3 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.09 -32.43 69.81 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.488 1.949 . . . . 10.0 109.145 171.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -74.0 -44.6 54.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.467 1.107 . . . . 10.0 111.263 169.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.37 -19.77 61.57 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.038 -1.039 . . . . 10.0 111.878 -174.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.62 -23.2 37.17 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.762 1.625 . . . . 10.0 110.344 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.88 8.12 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.792 2.437 . . . . 10.0 116.244 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 65.0 tttt -140.93 48.32 1.28 Allowed Pre-proline 0 N--CA 1.49 1.56 0 C-N-CA 127.151 2.18 . . . . 10.0 110.007 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.9 Cg_exo -15.89 -90.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 2 N-CA-C 123.934 4.552 . . . . 10.0 123.934 -165.56 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.59 10.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.726 1.148 . . . . 10.0 113.937 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.8 107.59 0.79 Allowed Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.09 -23.49 46.03 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 115.819 1.431 . . . . 10.0 115.819 -166.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.98 75.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.895 0.771 . . . . 10.0 112.293 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.14 -41.97 24.39 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.032 0.833 . . . . 10.0 112.978 170.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.96 -44.91 94.76 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 117.755 -1.117 . . . . 10.0 108.616 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.55 -19.83 60.79 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.173 2.26 . . . . 10.0 112.45 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.55 78.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.241 0.928 . . . . 10.0 109.868 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.99 -51.51 68.95 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 121.371 -0.831 . . . . 10.0 109.747 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HA ' HD13 ' A' ' 51' ' ' LEU . 15.1 mm100 -55.12 -32.05 61.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.388 1.075 . . . . 10.0 112.276 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.23 -47.25 36.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.298 1.039 . . . . 10.0 112.544 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 124.099 0.959 . . . . 10.0 112.028 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.61 -42.0 67.26 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 129.063 2.945 . . . . 10.0 109.596 168.325 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.4 m -73.03 -43.94 61.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.899 0.88 . . . . 10.0 112.916 172.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.06 -33.45 73.34 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.328 0.967 . . . . 10.0 112.578 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -36.03 75.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.997 -1.064 . . . . 10.0 109.779 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.96 -25.68 64.67 Favored 'General case' 0 CA--C 1.554 1.118 0 O-C-N 121.792 -0.568 . . . . 10.0 112.087 169.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.02 -40.51 68.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.256 1.822 . . . . 10.0 110.678 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD2' HG23 ' A' ' 20' ' ' VAL . 20.4 t80 -54.78 -40.46 69.45 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.66 73.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.487 2.315 . . . . 10.0 114.101 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -65.72 -42.68 90.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.529 1.531 . . . . 10.0 110.75 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' HG22 ' A' ' 64' ' ' THR . . . -64.55 -43.11 94.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.379 1.471 . . . . 10.0 111.144 169.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.48 41.58 0.63 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 124.237 1.97 . . . . 10.0 114.091 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t -141.09 -41.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 130.636 3.574 . . . . 10.0 107.743 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.77 -45.81 92.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.931 1.692 . . . . 10.0 114.609 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -68.77 -36.31 78.15 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.817 2.047 . . . . 10.0 115.274 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.3 t -59.77 -45.69 94.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 127.341 2.256 . . . . 10.0 109.421 172.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -68.78 3.73 1.79 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.001 2.92 . . . . 10.0 114.265 169.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 t -116.31 -35.8 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 128.841 2.856 . . . . 10.0 111.619 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -65.29 -21.65 66.74 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.825 -1.546 . . . . 10.0 106.825 166.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -35.87 77.81 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.135 1.774 . . . . 10.0 110.583 167.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -75.38 -33.88 61.07 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.548 1.539 . . . . 10.0 113.518 173.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.9 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 122.34 1.067 . . . . 10.0 111.278 169.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.76 -33.05 75.06 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.22 -1.55 . . . . 10.0 113.213 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.08 -8.06 14.84 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.838 1.255 . . . . 10.0 113.265 169.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.37 -33.99 9.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.081 2.153 . . . . 10.0 111.385 169.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.64 -34.32 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.153 0.981 . . . . 10.0 109.676 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.62 -44.67 18.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.722 2.809 . . . . 10.0 111.892 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -82.41 5.41 20.51 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.167 2.187 . . . . 10.0 114.017 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -129.59 -31.89 1.97 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.451 1.5 . . . . 10.0 114.42 -169.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -54.89 -19.95 7.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 118.402 2.742 . . . . 10.0 118.402 -169.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -142.48 -32.12 0.5 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 -173.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -103.91 -0.83 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -143.04 13.12 1.84 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.452 1.101 . . . . 10.0 113.47 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.112 1.765 . . . . 10.0 111.527 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 110.331 -0.248 . . . . 10.0 110.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.22 157.13 29.71 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 123.282 1.515 . . . . 10.0 114.056 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -84.47 149.18 54.17 Favored Pre-proline 0 N--CA 1.446 -0.633 0 CA-C-N 112.523 -2.126 . . . . 10.0 109.071 168.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.78 135.5 56.48 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 120.611 0.874 . . . . 10.0 114.241 -169.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.76 -3.28 14.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.481 1.512 . . . . 10.0 114.382 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -50.16 -22.93 1.88 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.896 2.184 . . . . 10.0 116.896 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.1 -1.43 90.33 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 124.891 1.234 . . . . 10.0 115.393 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.89 -31.15 0.56 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.749 2.02 . . . . 10.0 113.52 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.2 tp -42.52 -48.83 5.38 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 128.699 2.8 . . . . 10.0 113.683 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.25 14.2 0.47 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.19 1.396 . . . . 10.0 114.313 -170.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -139.34 6.88 2.35 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.416 1.486 . . . . 10.0 113.037 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -116.36 -56.25 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 127.094 2.158 . . . . 10.0 110.086 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.9 t -72.02 -44.61 63.13 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.255 1.422 . . . . 10.0 111.828 171.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.05 70.46 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.138 -0.976 . . . . 10.0 112.764 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -63.81 -18.92 64.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.823 2.049 . . . . 10.0 113.214 169.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.95 -23.32 13.36 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.618 1.967 . . . . 10.0 114.766 175.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -40.48 -46.13 2.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 118.42 2.748 . . . . 10.0 118.42 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -86.72 -31.42 20.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.53 0.937 . . . . 10.0 113.53 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.4 -41.11 21.7 Favored Glycine 0 N--CA 1.468 0.831 0 O-C-N 121.329 -0.857 . . . . 10.0 111.375 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -39.77 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 C-N-CA 124.178 0.991 . . . . 10.0 110.567 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.88 -25.8 62.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.758 1.022 . . . . 10.0 113.758 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.42 -27.2 65.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 120.25 1.386 . . . . 10.0 112.029 169.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.9 -43.86 19.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.789 0.836 . . . . 10.0 112.755 169.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -58.32 -46.6 85.87 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 126.799 2.04 . . . . 10.0 111.615 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.74 -46.39 81.4 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.624 1.17 . . . . 10.0 109.596 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -57.53 -51.74 68.24 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.175 1.39 . . . . 10.0 114.52 172.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.06 -38.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 119.511 1.05 . . . . 10.0 111.132 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 m -67.57 -27.76 67.21 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.545 0.738 . . . . 10.0 111.035 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.47 -28.0 46.4 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.846 -1.159 . . . . 10.0 111.392 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.72 89.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.46 -1.4 . . . . 10.0 109.27 167.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.24 -29.89 69.65 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.42 1.488 . . . . 10.0 113.387 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.83 -31.68 68.7 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.19 1.813 . . . . 10.0 109.277 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -75.74 -44.19 42.99 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.947 1.299 . . . . 10.0 111.25 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -20.04 61.47 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 122.285 1.041 . . . . 10.0 111.795 -175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.88 -23.09 39.26 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.829 1.652 . . . . 10.0 110.445 169.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.03 -53.27 6.56 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.827 2.451 . . . . 10.0 116.322 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' HD21 ' A' ' 43' ' ' LEU . 17.3 ttmm -139.75 49.31 1.89 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 127.442 2.297 . . . . 10.0 109.565 -175.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -17.14 -90.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 2 N-CA-C 123.813 4.505 . . . . 10.0 123.813 -165.61 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.1 p -75.99 10.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.608 1.094 . . . . 10.0 113.763 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -49.07 106.5 0.63 Allowed Pre-proline 0 C--N 1.348 0.526 0 N-CA-C 106.012 -1.847 . . . . 10.0 106.012 167.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -65.79 -24.17 54.7 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 N-CA-C 115.975 1.49 . . . . 10.0 115.975 -166.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.19 -40.13 78.27 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.87 0.759 . . . . 10.0 112.555 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.26 -42.37 23.3 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 10.0 113.019 170.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.78 -44.25 96.68 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 117.732 -1.128 . . . . 10.0 108.589 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.64 -19.81 60.75 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 122.217 2.281 . . . . 10.0 112.585 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.57 76.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.315 0.962 . . . . 10.0 109.776 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.92 -51.94 66.08 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.631 0.772 . . . . 10.0 109.506 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.5 mm100 -54.31 -31.34 53.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.533 1.133 . . . . 10.0 112.43 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.5 -50.01 19.87 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.245 1.018 . . . . 10.0 112.563 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.47 -34.73 77.77 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.915 0.886 . . . . 10.0 112.099 -179.092 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.43 -41.51 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 129.036 2.934 . . . . 10.0 110.072 168.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 m -74.68 -42.87 57.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -59.85 -35.42 74.72 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.184 0.902 . . . . 10.0 112.592 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -35.83 77.34 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.246 1.018 . . . . 10.0 110.431 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -72.23 -24.49 61.39 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.55 -40.82 66.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.587 1.955 . . . . 10.0 111.257 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.6 t80 -53.67 -41.3 66.72 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 168.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -33.49 71.25 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 127.651 2.38 . . . . 10.0 114.426 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -65.72 -44.12 87.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.415 1.486 . . . . 10.0 110.096 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.46 86.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.995 1.718 . . . . 10.0 111.579 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.0 tp60 -82.51 38.72 0.57 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.742 1.734 . . . . 10.0 114.071 169.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.2 t -139.32 -36.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 130.314 3.446 . . . . 10.0 108.537 168.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.87 -53.06 60.97 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.542 1.537 . . . . 10.0 113.378 173.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 61' ' ' GLN . 11.1 t -59.82 -36.8 77.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.854 2.062 . . . . 10.0 114.896 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -61.62 -47.82 91.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 127.656 2.382 . . . . 10.0 109.783 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -69.47 5.12 1.46 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 128.046 2.538 . . . . 10.0 114.038 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.64 -35.97 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 128.429 2.691 . . . . 10.0 111.526 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -66.92 -24.37 66.08 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 106.79 -1.559 . . . . 10.0 106.79 166.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -59.29 -36.56 75.8 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.319 -1.488 . . . . 10.0 109.794 166.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.81 -29.54 56.02 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.965 1.706 . . . . 10.0 113.134 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -70.59 -45.37 74.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 123.147 0.579 . . . . 10.0 110.184 169.357 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.51 -30.61 70.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.728 1.611 . . . . 10.0 113.564 171.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.48 68.69 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 120.6 -1.312 . . . . 10.0 111.471 169.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' ILE . . . -73.2 -37.64 66.38 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.099 1.36 . . . . 10.0 112.193 169.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.65 -40.72 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.46 . . . . 10.0 110.585 170.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.25 -47.55 75.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.825 1.65 . . . . 10.0 111.383 173.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.8 4.82 1.01 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.02 1.728 . . . . 10.0 114.76 171.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -126.77 -1.34 6.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.002 2.121 . . . . 10.0 112.727 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -143.73 52.39 1.32 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.395 1.078 . . . . 10.0 112.768 -169.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -72.17 50.53 0.22 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.941 1.696 . . . . 10.0 113.399 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -69.73 -6.77 34.07 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.631 1.715 . . . . 10.0 115.631 -172.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -62.13 148.54 44.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.744 1.218 . . . . 10.0 113.309 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.501 1.921 . . . . 10.0 111.304 177.194 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.27 161.67 41.07 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.379 1.561 . . . . 10.0 114.463 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 15.5 p -87.55 154.22 53.51 Favored Pre-proline 0 N--CA 1.448 -0.555 0 CA-C-N 111.987 -2.37 . . . . 10.0 108.342 167.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 31.2 Cg_exo -60.16 103.28 0.2 Allowed 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 121.576 1.517 . . . . 10.0 116.017 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -72.72 -6.98 48.24 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.31 2.244 . . . . 10.0 114.263 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -56.68 -20.86 23.82 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.61 1.707 . . . . 10.0 115.61 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.53 0.5 68.08 Favored Glycine 0 CA--C 1.542 1.739 0 C-N-CA 125.127 1.346 . . . . 10.0 115.259 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -138.88 -12.74 1.26 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.242 2.217 . . . . 10.0 114.212 -169.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.84 -53.13 27.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.555 2.342 . . . . 10.0 114.604 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.48 16.49 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -169.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -130.89 -35.75 1.4 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.961 1.704 . . . . 10.0 111.823 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.83 -50.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 126.391 1.876 . . . . 10.0 112.4 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -78.88 -39.08 36.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 125.477 1.511 . . . . 10.0 111.952 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -29.93 71.11 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.133 -0.979 . . . . 10.0 112.836 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.65 -16.83 52.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.895 2.478 . . . . 10.0 113.697 169.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -22.93 9.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.144 2.178 . . . . 10.0 114.5 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -38.66 -62.17 0.64 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.826 2.45 . . . . 10.0 116.874 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -72.83 -28.27 62.44 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.308 -0.87 . . . . 10.0 113.153 -169.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.98 -41.26 7.66 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 123.751 0.691 . . . . 10.0 111.773 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -55.3 -40.12 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.806 0 C-N-CA 123.31 0.644 . . . . 10.0 110.37 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.48 -28.24 69.07 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.445 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.83 -24.86 63.52 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.452 1.478 . . . . 10.0 113.634 169.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -87.88 -47.22 8.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 113.103 173.119 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -54.44 -46.8 73.34 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 126.788 2.035 . . . . 10.0 111.82 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -53.95 -45.29 71.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.886 1.675 . . . . 10.0 110.078 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -60.58 -52.51 64.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.516 1.526 . . . . 10.0 114.639 173.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.9 -36.8 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 119.56 1.073 . . . . 10.0 111.004 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -71.2 -28.02 63.92 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.372 1.069 . . . . 10.0 111.162 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.77 -29.24 44.97 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 121.005 -1.059 . . . . 10.0 111.006 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.77 92.18 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.645 -1.285 . . . . 10.0 109.644 167.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.08 -29.95 68.16 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.863 1.665 . . . . 10.0 113.19 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.47 -31.7 68.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.362 1.892 . . . . 10.0 109.104 171.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.51 -44.48 43.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.632 1.173 . . . . 10.0 111.55 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.11 -20.09 61.01 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.934 -1.104 . . . . 10.0 111.687 -174.805 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 -23.92 39.52 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.717 1.607 . . . . 10.0 110.06 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -55.74 4.6 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.437 2.295 . . . . 10.0 115.933 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.85 68.33 57.98 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 126.766 2.027 . . . . 10.0 109.484 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.445 4.2 Cg_exo -35.09 -79.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.489 3.996 . . . . 10.0 122.489 -166.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -82.0 12.45 4.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.876 1.216 . . . . 10.0 113.423 -170.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -52.82 108.87 1.2 Allowed Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 105.588 -2.004 . . . . 10.0 105.588 167.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.48 -23.76 37.08 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 CA-C-N 119.804 0.966 . . . . 10.0 114.479 -167.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.62 95.29 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.012 0.824 . . . . 10.0 112.081 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.51 -43.53 20.63 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.087 1.143 . . . . 10.0 114.087 171.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.89 -33.98 77.3 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.627 1.103 . . . . 10.0 109.923 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.05 -28.05 54.6 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 119.89 1.223 . . . . 10.0 111.83 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.14 81.72 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.391 -0.818 . . . . 10.0 111.333 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.7 t80 -60.72 -55.33 34.5 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 123.843 0.857 . . . . 10.0 111.497 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.772 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.7 pp0? -66.18 -24.2 66.59 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.864 0.84 . . . . 10.0 111.287 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -67.1 -50.99 59.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.913 1.285 . . . . 10.0 111.378 169.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.2 -36.53 81.93 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.464 1.106 . . . . 10.0 112.586 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.772 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.09 -36.74 63.51 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.487 3.115 . . . . 10.0 110.577 168.727 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -78.13 -42.92 30.33 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 10.0 112.873 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.01 -32.74 69.98 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.099 0.863 . . . . 10.0 112.615 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.477 1.111 . . . . 10.0 111.21 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.2 -26.59 61.21 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.777 -0.577 . . . . 10.0 111.115 168.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.45 -37.16 71.42 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.78 1.632 . . . . 10.0 111.422 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.2 t80 -54.87 -43.88 73.53 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 107.854 -1.165 . . . . 10.0 107.854 168.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -40.3 95.1 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.827 2.451 . . . . 10.0 112.896 175.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.83 -46.02 76.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.519 1.528 . . . . 10.0 111.6 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.9 89.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.812 1.645 . . . . 10.0 111.183 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.2 tp-100 -78.66 30.97 0.19 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.296 1.838 . . . . 10.0 114.5 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.1 t -143.43 13.63 1.78 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.584 3.153 . . . . 10.0 110.577 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -125.01 -48.18 1.76 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.11 2.564 . . . . 10.0 111.183 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' GLN . 15.2 t -56.53 -33.88 66.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 123.889 1.804 . . . . 10.0 113.576 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.7 t -55.1 -37.61 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 129.251 3.02 . . . . 10.0 112.033 171.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -91.61 9.27 32.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.303 3.041 . . . . 10.0 112.912 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.7 t -117.08 -35.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 128.897 2.879 . . . . 10.0 111.37 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.47 -21.38 66.65 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.647 -1.242 . . . . 10.0 107.647 166.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -59.24 -38.08 79.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.124 1.77 . . . . 10.0 110.01 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -30.33 40.87 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.585 1.954 . . . . 10.0 112.852 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -44.33 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-O 121.444 0.64 . . . . 10.0 109.934 169.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.21 -32.75 72.52 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.386 -1.446 . . . . 10.0 113.226 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.38 -24.41 67.36 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 120.693 -1.254 . . . . 10.0 112.0 169.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.22 -36.21 40.42 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.459 1.504 . . . . 10.0 112.059 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.9 -41.69 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.41 1.084 . . . . 10.0 109.223 169.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -57.63 -33.08 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.42 1.888 . . . . 10.0 113.502 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -77.47 -40.18 44.01 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.059 . . . . 10.0 112.4 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.49 -30.53 71.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.309 1.444 . . . . 10.0 113.217 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -128.59 39.06 3.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.266 1.826 . . . . 10.0 111.424 -171.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -71.09 42.99 0.07 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.565 1.946 . . . . 10.0 113.1 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -64.28 166.84 7.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.59 1.956 . . . . 10.0 113.562 -174.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -60.24 136.28 57.98 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.105 0.962 . . . . 10.0 112.256 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.681 1.993 . . . . 10.0 111.192 -179.17 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.507 0.194 . . . . 10.0 111.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.4 160.37 43.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 123.327 1.537 . . . . 10.0 112.956 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 p -76.15 152.82 84.3 Favored Pre-proline 0 N--CA 1.444 -0.774 0 CA-C-N 112.277 -2.238 . . . . 10.0 108.027 167.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.18 -20.93 70.07 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 N-CA-C 116.572 1.72 . . . . 10.0 116.572 -169.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -141.08 130.2 23.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.964 1.305 . . . . 10.0 111.528 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -152.27 -36.01 0.12 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.233 1.413 . . . . 10.0 112.544 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.96 26.66 18.54 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.835 1.684 . . . . 10.0 113.902 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -146.06 -56.93 0.29 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.54 . . . . 10.0 112.266 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.48 -32.67 67.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.581 1.952 . . . . 10.0 112.924 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.69 3.17 1.51 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -123.06 2.03 9.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.014 1.726 . . . . 10.0 112.847 170.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.84 -49.4 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 127.801 2.44 . . . . 10.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -73.29 -39.15 65.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 123.698 0.799 . . . . 10.0 111.351 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.56 66.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.907 -1.121 . . . . 10.0 113.737 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.08 -45.92 75.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.251 1.42 . . . . 10.0 110.677 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -51.02 67.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.086 0.954 . . . . 10.0 110.554 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.79 -25.17 66.36 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -170.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -95.15 -27.1 15.73 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.835 1.05 . . . . 10.0 113.835 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 -40.28 14.84 Favored Glycine 0 N--CA 1.471 0.989 0 CA-C-N 118.892 0.769 . . . . 10.0 111.971 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -38.47 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 C-N-CA 124.024 0.93 . . . . 10.0 110.837 169.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.54 -22.86 65.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 113.906 1.076 . . . . 10.0 113.906 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -70.32 -27.74 64.62 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.407 1.458 . . . . 10.0 112.023 168.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.77 -44.84 17.96 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.509 0.724 . . . . 10.0 112.212 169.503 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -56.86 -46.44 81.79 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 126.55 1.94 . . . . 10.0 111.902 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -57.63 -45.99 84.73 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.166 0.987 . . . . 10.0 109.852 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.72 -51.13 71.26 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.238 1.415 . . . . 10.0 114.338 173.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.33 -38.46 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.296 0.953 . . . . 10.0 110.581 176.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.9 m -68.51 -27.54 66.21 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.598 -0.689 . . . . 10.0 111.323 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 -30.17 45.14 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.798 -1.189 . . . . 10.0 111.242 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.11 95.65 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.629 -1.294 . . . . 10.0 109.152 167.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.18 -30.26 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.548 1.539 . . . . 10.0 113.573 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -31.76 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 120.892 1.678 . . . . 10.0 109.307 172.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -75.82 -44.06 43.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.44 1.096 . . . . 10.0 110.714 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.5 -19.76 60.84 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.696 -1.252 . . . . 10.0 112.153 -172.791 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.54 -20.12 44.19 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 126.051 1.74 . . . . 10.0 110.195 169.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.72 -53.63 5.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.27 2.228 . . . . 10.0 115.614 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' HD21 ' A' ' 43' ' ' LEU . 61.3 tttt -141.35 48.03 1.15 Allowed Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 126.205 1.802 . . . . 10.0 111.104 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HB3' HD23 ' A' ' 34' ' ' LEU 0.446 2.9 Cg_exo -19.06 -93.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.516 -0.395 1 C-N-CA 126.81 5.007 . . . . 10.0 121.865 -166.85 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.327 15.1 p -75.09 26.36 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 121.223 1.829 . . . . 10.0 114.586 -173.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.98 92.82 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.177 1 N-CA-C 96.638 -5.319 . . . . 10.0 96.638 162.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.723 ' HA ' HD22 ' A' ' 44' ' ' LEU . 88.9 Cg_endo -67.06 -5.23 13.09 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 120.842 1.028 . . . . 10.0 113.716 -165.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.66 -51.84 8.74 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.63 1.172 . . . . 10.0 111.176 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.3 pp -67.98 -41.22 82.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.808 1.185 . . . . 10.0 109.838 168.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' ' 45' ' ' ALA 0.359 0.2 OUTLIER -60.22 -46.15 90.76 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.104 -1.427 . . . . 10.0 107.91 178.505 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.859 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.3 -18.8 57.23 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 123.582 2.901 . . . . 10.0 109.286 -167.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.24 82.34 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 167.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 35.8 t80 -64.61 -54.35 33.32 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.147 -0.97 . . . . 10.0 109.981 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 51' ' ' LEU . 25.9 mm100 -55.15 -26.2 37.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.02 1.328 . . . . 10.0 111.599 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -77.65 -54.15 6.71 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.237 2.215 . . . . 10.0 112.826 171.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.32 -35.34 80.06 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.531 1.132 . . . . 10.0 112.384 -178.105 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -52.52 -42.77 64.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 130.287 3.435 . . . . 10.0 110.651 168.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -77.09 -42.04 39.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.969 0.907 . . . . 10.0 112.86 172.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.33 -31.75 69.46 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.67 0.788 . . . . 10.0 112.069 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -37.59 77.3 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.451 1.101 . . . . 10.0 110.611 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.41 -26.97 64.89 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 121.426 -0.797 . . . . 10.0 111.585 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.91 -35.53 69.71 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.369 -1.457 . . . . 10.0 111.286 169.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.3 t80 -56.6 -44.49 81.18 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.678 1.127 . . . . 10.0 107.966 168.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.9 92.04 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.189 2.195 . . . . 10.0 111.783 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -65.96 -45.93 79.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.491 1.516 . . . . 10.0 111.635 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.34 90.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.851 1.66 . . . . 10.0 110.744 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.7 tp60 -75.66 24.01 0.12 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.258 1.823 . . . . 10.0 115.054 169.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -141.09 12.26 2.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.46 2.704 . . . . 10.0 110.938 168.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -122.08 -49.07 2.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 127.942 2.497 . . . . 10.0 110.232 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -49.34 -41.97 40.35 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.766 2.027 . . . . 10.0 112.786 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.77 -25.37 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 131.045 3.738 . . . . 10.0 113.851 172.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -119.77 12.04 12.06 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.712 3.605 . . . . 10.0 112.157 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 69' ' ' LYS . 5.3 t -110.01 -27.98 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 129.302 3.041 . . . . 10.0 109.859 172.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -78.9 39.36 0.36 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 124.192 1.948 . . . . 10.0 109.888 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -148.89 -49.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.436 1 C-N-CA 135.471 5.508 . . . . 10.0 107.037 -169.871 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.5 -27.12 66.73 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.613 1.165 . . . . 10.0 110.813 167.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -43.53 90.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 C-N-CA 124.524 1.129 . . . . 10.0 110.65 169.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.15 -34.91 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.192 -0.942 . . . . 10.0 112.447 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.42 71.66 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.801 . . . . 10.0 111.02 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.52 71.19 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.046 -1.034 . . . . 10.0 112.549 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.25 -42.73 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.759 1.224 . . . . 10.0 110.632 171.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.28 -52.91 61.9 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.204 1.802 . . . . 10.0 111.739 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.35 -20.83 65.63 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -70.34 -1.1 9.53 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.635 1.574 . . . . 10.0 113.974 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 133.56 51.21 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.865 -1.147 . . . . 10.0 112.243 169.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -150.3 163.41 38.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.668 1.587 . . . . 10.0 111.387 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.27 -30.87 71.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.262 1.025 . . . . 10.0 113.126 171.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -149.47 138.83 21.48 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.93 1.692 . . . . 10.0 109.984 176.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.423 0 C-N-CA 124.304 1.042 . . . . 10.0 113.14 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.489 0.185 . . . . 10.0 110.504 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.18 160.38 43.89 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 123.133 1.444 . . . . 10.0 112.949 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 26.9 p -78.99 157.83 75.66 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 112.336 -2.211 . . . . 10.0 107.599 167.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 53.2 Cg_exo -61.43 -4.15 3.98 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 118.193 2.344 . . . . 10.0 118.193 -170.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -17.31 3.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.345 1.609 . . . . 10.0 115.345 173.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -56.63 -26.89 57.17 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.026 1.739 . . . . 10.0 113.423 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 1.8 44.87 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 116.286 1.274 . . . . 10.0 116.286 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -148.08 -53.63 0.2 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.516 1.658 . . . . 10.0 113.921 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.34 -35.56 70.07 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.294 1.838 . . . . 10.0 112.533 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.6 3.51 1.36 Allowed 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.51 5.04 6.85 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.162 1.785 . . . . 10.0 112.788 170.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.84 -41.72 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 128.098 2.559 . . . . 10.0 111.812 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -80.75 -43.5 20.11 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.493 1.117 . . . . 10.0 111.016 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.9 66.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -49.34 -48.74 46.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.337 1.855 . . . . 10.0 110.913 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -53.12 42.16 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.345 1.058 . . . . 10.0 111.203 169.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.1 -25.08 66.71 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.701 1.741 . . . . 10.0 115.701 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -95.4 -33.62 12.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.045 0.938 . . . . 10.0 113.483 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.53 80.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 120.937 -1.102 . . . . 10.0 111.809 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -57.61 -40.69 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 C-N-CA 124.167 0.987 . . . . 10.0 111.451 169.726 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.45 -23.86 62.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.45 -27.1 64.95 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.096 1.316 . . . . 10.0 111.596 168.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.53 -45.45 17.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.174 0.59 . . . . 10.0 112.232 169.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -56.46 -47.15 79.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 126.551 1.94 . . . . 10.0 112.047 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -57.29 -46.06 83.5 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.434 1.094 . . . . 10.0 109.843 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.67 -51.5 69.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.446 1.498 . . . . 10.0 114.273 173.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.08 -38.77 83.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 119.336 0.971 . . . . 10.0 110.546 176.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -68.7 -27.26 65.8 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.466 -0.772 . . . . 10.0 111.401 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.94 -30.28 44.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.708 -1.245 . . . . 10.0 111.096 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.09 95.95 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.64 -1.288 . . . . 10.0 109.134 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.11 -31.0 71.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.793 1.637 . . . . 10.0 113.697 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -31.31 69.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.778 1.626 . . . . 10.0 109.427 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.4 mmtt -75.98 -41.98 49.69 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.328 1.051 . . . . 10.0 110.985 169.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -71.13 -39.62 71.89 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 120.33 -1.481 . . . . 10.0 110.711 -171.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.1 44.18 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.573 1.549 . . . . 10.0 111.244 169.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -81.96 -59.86 2.43 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.083 2.153 . . . . 10.0 115.774 169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.8 tmtt? -136.15 77.96 47.5 Favored Pre-proline 0 N--CA 1.488 1.441 0 C-N-CA 126.17 1.788 . . . . 10.0 108.951 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HB3' HD23 ' A' ' 34' ' ' LEU . 10.1 Cg_endo -63.06 -20.19 70.78 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 121.369 3.565 . . . . 10.0 121.369 -166.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.33 85.4 p -126.8 49.96 2.0 Allowed 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 125.095 2.379 . . . . 10.0 113.139 169.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.05 83.43 0.23 Allowed Pre-proline 0 N--CA 1.441 -0.885 1 N-CA-C 92.927 -6.694 . . . . 10.0 92.927 162.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HA ' HD22 ' A' ' 44' ' ' LEU . 74.4 Cg_endo -62.38 -4.44 5.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 121.494 1.463 . . . . 10.0 112.814 -167.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.14 5.79 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.81 1.644 . . . . 10.0 111.831 170.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.2 pp -64.41 -41.5 96.59 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.906 1.685 . . . . 10.0 109.433 168.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 45' ' ' ALA 0.397 0.2 OUTLIER -61.71 -45.48 93.78 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.188 -1.386 . . . . 10.0 108.26 179.722 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.837 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.08 -18.71 57.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 123.626 2.921 . . . . 10.0 108.842 -168.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.65 82.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 167.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 39.4 t80 -64.6 -54.2 35.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 121.172 -0.955 . . . . 10.0 109.792 168.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HA ' HD13 ' A' ' 51' ' ' LEU . 21.9 mm100 -55.31 -24.43 28.77 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.955 1.302 . . . . 10.0 111.572 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -79.79 -53.46 6.77 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 127.82 2.448 . . . . 10.0 113.028 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.9 -34.15 77.32 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.623 1.169 . . . . 10.0 112.477 -178.433 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -53.0 -44.37 67.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 130.328 3.451 . . . . 10.0 110.391 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.4 m -75.47 -41.4 55.7 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.55 -33.51 71.5 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.255 0.934 . . . . 10.0 112.156 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -37.74 78.62 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.358 1.063 . . . . 10.0 110.389 175.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -26.17 64.93 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.472 -0.768 . . . . 10.0 112.302 169.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.12 -37.26 69.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.111 1.764 . . . . 10.0 111.313 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.437 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 10.5 t80 -55.67 -44.59 77.42 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.835 -1.172 . . . . 10.0 107.835 168.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -39.66 92.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.601 2.361 . . . . 10.0 112.722 174.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.55 -43.42 80.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.255 1.422 . . . . 10.0 111.435 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.61 -40.49 95.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.818 1.647 . . . . 10.0 110.795 171.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.86 25.48 0.15 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.505 2.322 . . . . 10.0 113.362 168.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -147.52 23.58 1.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 129.02 2.928 . . . . 10.0 109.578 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.63 -51.27 1.26 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.777 2.431 . . . . 10.0 110.049 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 60' ' ' ALA . 12.0 t -49.15 -44.41 42.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.686 1.995 . . . . 10.0 113.772 169.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.25 -26.82 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 130.64 3.576 . . . . 10.0 113.852 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.41 14.85 13.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 130.584 3.554 . . . . 10.0 111.988 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.82 -32.5 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 C-N-CA 129.693 3.197 . . . . 10.0 110.06 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -64.9 -22.32 66.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 107.184 -1.413 . . . . 10.0 107.184 166.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -64.74 -35.85 82.41 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.578 1.951 . . . . 10.0 111.093 167.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.32 -33.42 61.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.406 1.482 . . . . 10.0 113.272 171.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -43.02 97.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.898 0.856 . . . . 10.0 110.811 169.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.41 -34.27 77.92 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.645 -1.284 . . . . 10.0 113.72 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.64 -30.74 70.9 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.749 -1.219 . . . . 10.0 111.785 169.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.21 -32.39 70.26 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.896 -1.128 . . . . 10.0 112.477 169.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.47 -40.27 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.543 1.137 . . . . 10.0 110.769 170.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.91 -42.1 88.83 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.589 1.556 . . . . 10.0 111.509 169.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.89 -0.54 3.14 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.882 1.673 . . . . 10.0 113.478 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -123.36 14.81 9.66 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.608 2.363 . . . . 10.0 112.618 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -58.38 -19.52 36.41 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.936 1.828 . . . . 10.0 115.936 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -53.72 136.16 40.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.611 1.164 . . . . 10.0 113.024 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -138.26 -6.06 1.6 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -151.86 162.63 40.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.267 1.427 . . . . 10.0 111.336 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.2 m80 . . . . . 0 C--O 1.256 1.395 0 C-N-CA 126.301 1.841 . . . . 10.0 112.628 169.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -62.62 -20.37 64.7 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.363 1.245 . . . . 10.0 114.363 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.07 -7.14 74.24 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.711 1.148 . . . . 10.0 114.469 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -138.91 15.39 2.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.291 2.237 . . . . 10.0 112.586 -171.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -53.95 -44.33 70.6 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.944 1.697 . . . . 10.0 113.0 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -75.11 19.31 0.16 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.334 1.054 . . . . 10.0 113.829 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.35 -41.37 1.24 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.276 2.23 . . . . 10.0 110.617 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.79 -50.75 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 126.051 1.74 . . . . 10.0 112.516 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.2 t -74.89 -37.79 62.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.882 0.873 . . . . 10.0 110.653 169.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -14.81 27.31 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.03 -33.7 39.82 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.948 1.299 . . . . 10.0 112.253 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -39.2 85.74 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.81 1.644 . . . . 10.0 111.885 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.88 -15.75 63.22 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -169.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -106.02 -27.37 11.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.111 1.364 . . . . 10.0 113.688 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 0 O-C-N 120.884 -1.135 . . . . 10.0 112.23 171.466 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -69.91 -27.33 64.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.125 1.33 . . . . 10.0 111.433 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -43.98 18.87 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.857 0.863 . . . . 10.0 112.551 169.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.11 -47.1 84.29 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.937 1.695 . . . . 10.0 111.83 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -56.75 -44.79 82.07 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.454 1.102 . . . . 10.0 109.663 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.95 -52.08 67.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.114 1.366 . . . . 10.0 114.488 173.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -63.55 -37.75 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 119.461 1.028 . . . . 10.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 m -69.65 -27.87 65.41 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 123.763 0.825 . . . . 10.0 111.504 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.75 -29.59 40.57 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.696 -1.253 . . . . 10.0 111.019 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.13 93.55 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.702 -1.249 . . . . 10.0 109.414 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.69 -30.09 68.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.654 1.582 . . . . 10.0 113.312 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.37 -31.7 67.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 121.353 1.888 . . . . 10.0 109.367 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -75.22 -44.42 46.37 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.642 1.177 . . . . 10.0 111.381 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.11 -19.73 61.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.041 -1.037 . . . . 10.0 111.792 -175.378 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.82 -23.14 36.66 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 125.762 1.625 . . . . 10.0 110.526 169.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.8 -52.41 7.53 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.775 2.43 . . . . 10.0 116.222 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 42.7 tttp -139.79 48.03 1.44 Allowed Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.412 2.285 . . . . 10.0 109.93 -176.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.571 7.1 Cg_exo -16.03 -91.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 2 N-CA-C 123.912 4.543 . . . . 10.0 123.912 -165.542 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.2 p -74.91 9.47 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -48.47 107.24 0.72 Allowed Pre-proline 0 C--N 1.347 0.49 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 167.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.57 -24.29 42.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 114.706 1.002 . . . . 10.0 114.706 -167.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.68 95.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.036 0.834 . . . . 10.0 112.058 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.59 20.37 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.158 1.17 . . . . 10.0 114.158 170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -35.0 79.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.754 1.161 . . . . 10.0 109.698 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.9 -26.86 54.63 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.788 -1.195 . . . . 10.0 111.918 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.68 80.42 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.612 -0.68 . . . . 10.0 111.092 169.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.7 t80 -60.03 -54.99 39.47 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.205 1.002 . . . . 10.0 111.65 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.5 pp0? -65.96 -24.33 66.78 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.768 0.794 . . . . 10.0 111.241 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -65.91 -52.0 53.73 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.617 1.167 . . . . 10.0 110.851 169.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.1 -37.1 84.93 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.887 1.275 . . . . 10.0 112.617 -177.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.2 -38.42 62.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.432 3.093 . . . . 10.0 110.889 168.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -79.66 -40.81 28.28 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.889 0.876 . . . . 10.0 113.229 170.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.64 -32.75 69.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.125 0.875 . . . . 10.0 112.15 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.477 1.111 . . . . 10.0 110.788 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 5.9 t80 . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.09 90.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.022 2.129 . . . . 10.0 112.552 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.19 -43.47 78.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.424 1.49 . . . . 10.0 111.95 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.36 -37.28 82.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.733 1.613 . . . . 10.0 111.045 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.02 22.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.581 2.353 . . . . 10.0 113.78 169.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 t -142.29 16.73 2.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.102 2.561 . . . . 10.0 110.303 168.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -122.88 -50.39 1.95 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 128.048 2.539 . . . . 10.0 110.321 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.9 t -49.33 -43.49 43.69 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.609 1.963 . . . . 10.0 113.263 169.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.7 t -54.35 -25.64 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 130.803 3.641 . . . . 10.0 113.846 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -116.18 11.79 15.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 130.539 3.536 . . . . 10.0 112.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.78 -33.05 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 129.187 2.995 . . . . 10.0 110.824 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 167.486 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -56.92 -22.6 38.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 171.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.52 -3.2 75.16 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.19 1.376 . . . . 10.0 114.819 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.94 7.05 2.69 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.931 2.092 . . . . 10.0 113.204 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 13' ' ' SER . 61.8 tp -53.48 -48.17 69.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.339 1.455 . . . . 10.0 113.492 -169.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 19.78 0.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -130.69 -45.1 1.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.996 2.118 . . . . 10.0 110.2 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.54 -48.99 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 126.274 1.829 . . . . 10.0 112.617 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 9' ' ' LEU . 29.3 t -73.89 -48.18 32.74 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.123 169.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -21.84 14.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -50.28 -27.69 6.53 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.731 1.612 . . . . 10.0 113.622 169.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -19.64 62.93 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.4 3.08 . . . . 10.0 116.71 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.67 -28.96 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 119.765 3.246 . . . . 10.0 119.765 -167.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -101.23 -21.95 14.77 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.243 1.383 . . . . 10.0 114.433 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.069 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 173.189 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.445 -0.706 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -70.58 -27.04 63.82 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.083 1.31 . . . . 10.0 112.128 169.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -82.18 -44.01 16.95 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.825 0.85 . . . . 10.0 112.322 169.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -57.56 -46.48 83.88 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.578 1.951 . . . . 10.0 111.767 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.68 -45.85 81.49 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.478 1.111 . . . . 10.0 109.808 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.88 -51.82 68.39 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.222 1.409 . . . . 10.0 114.453 173.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.29 -37.8 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 119.475 1.034 . . . . 10.0 111.042 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -68.45 -27.4 66.14 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 123.438 0.695 . . . . 10.0 111.34 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.67 -29.17 40.79 Favored 'General case' 0 N--CA 1.442 -0.84 0 O-C-N 120.822 -1.174 . . . . 10.0 111.368 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.79 94.78 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.69 -1.256 . . . . 10.0 109.161 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.93 -29.85 69.02 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.508 1.523 . . . . 10.0 113.225 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.12 -31.87 69.33 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.396 1.907 . . . . 10.0 109.231 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -74.74 -44.58 49.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.728 1.211 . . . . 10.0 111.228 169.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -19.74 61.65 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 122.227 1.013 . . . . 10.0 111.828 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.58 36.62 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.869 1.667 . . . . 10.0 110.435 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -52.92 6.94 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.772 2.429 . . . . 10.0 116.12 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.5 tttt -140.05 48.3 1.46 Allowed Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 127.304 2.242 . . . . 10.0 110.041 -176.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.572 7.1 Cg_exo -16.0 -90.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 2 N-CA-C 123.843 4.517 . . . . 10.0 123.843 -165.53 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.84 10.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.985 1.106 . . . . 10.0 113.985 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.79 107.42 0.76 Allowed Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.646 -1.983 . . . . 10.0 105.646 167.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.13 -22.93 46.46 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 N-CA-C 115.785 1.417 . . . . 10.0 115.785 -166.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.18 74.1 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.871 0.76 . . . . 10.0 112.282 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.15 -41.95 24.39 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.119 0.872 . . . . 10.0 113.113 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.98 -44.57 95.66 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 117.746 -1.121 . . . . 10.0 108.543 179.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.82 60.52 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 122.198 2.272 . . . . 10.0 112.451 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.82 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.365 0.984 . . . . 10.0 109.636 168.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -61.34 -51.03 70.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 123.897 0.879 . . . . 10.0 110.014 168.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' HA ' HD13 ' A' ' 51' ' ' LEU . 13.3 mm100 -55.19 -31.4 61.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.357 1.063 . . . . 10.0 112.052 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -72.79 -50.91 21.29 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.318 1.047 . . . . 10.0 111.966 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -65.77 -35.65 81.32 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 124.312 1.045 . . . . 10.0 112.33 -177.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -54.19 -38.05 65.2 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.536 3.134 . . . . 10.0 111.048 168.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -80.07 -41.12 26.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.69 0.796 . . . . 10.0 112.779 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.93 -33.24 70.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.048 0.84 . . . . 10.0 112.155 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 C-N-CA 124.5 1.12 . . . . 10.0 110.744 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.2 t80 . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 107.79 -1.189 . . . . 10.0 107.79 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.06 93.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.379 2.271 . . . . 10.0 112.526 174.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.93 -42.96 80.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.494 1.518 . . . . 10.0 111.864 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.64 -37.71 82.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.802 1.641 . . . . 10.0 110.656 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -76.19 27.11 0.12 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.666 2.387 . . . . 10.0 113.741 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t -144.83 12.95 1.47 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.695 2.798 . . . . 10.0 110.378 168.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -121.49 -51.07 2.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.209 2.604 . . . . 10.0 110.294 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.3 t -50.38 -43.36 54.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.597 1.959 . . . . 10.0 113.164 169.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.0 t -52.17 -28.61 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 130.502 3.521 . . . . 10.0 113.584 171.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -113.98 12.65 18.08 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 130.454 3.502 . . . . 10.0 112.334 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.65 -34.04 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 C-N-CA 129.157 2.983 . . . . 10.0 110.841 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 167.252 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 115.055 1.502 . . . . 10.0 115.055 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -66.46 -5.44 11.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.73 1.381 . . . . 10.0 114.73 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 13.92 9.63 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.162 1.839 . . . . 10.0 114.43 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -148.98 -36.57 0.17 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.101 1.45 . . . . 10.0 114.674 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.69 -40.08 65.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.414 1.886 . . . . 10.0 112.594 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.43 -12.82 16.1 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.93 -13.4 15.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.077 1.351 . . . . 10.0 113.525 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -97.72 -51.32 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.601 2.361 . . . . 10.0 111.784 -176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.62 -38.87 90.66 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.403 1.081 . . . . 10.0 111.064 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.73 61.89 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.341 0.867 . . . . 10.0 113.341 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -56.68 -45.95 81.45 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.917 -1.115 . . . . 10.0 110.991 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -5.59 1.46 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.588 2.355 . . . . 10.0 114.415 170.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -121.26 -5.34 9.42 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.35 2.26 . . . . 10.0 114.883 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 t -138.93 -31.83 0.7 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.297 1.591 . . . . 10.0 115.297 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.066 0 N-CA-C 109.004 -1.638 . . . . 10.0 109.004 168.538 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.94 -28.64 64.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.0 1.273 . . . . 10.0 111.551 168.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -44.68 17.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.571 0.748 . . . . 10.0 112.157 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.68 -45.23 81.85 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.756 1.622 . . . . 10.0 111.903 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t -58.92 -45.05 91.29 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.071 0.948 . . . . 10.0 110.036 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.24 -52.08 66.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.194 1.397 . . . . 10.0 114.067 171.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.21 -37.58 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.438 1.017 . . . . 10.0 111.237 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 m -68.97 -27.71 65.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.445 0.698 . . . . 10.0 111.228 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.2 -28.74 42.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.721 -1.237 . . . . 10.0 111.237 174.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.75 92.03 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.625 -1.297 . . . . 10.0 109.403 167.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.98 -29.4 67.6 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.759 1.624 . . . . 10.0 113.345 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.76 -31.42 68.34 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.299 1.863 . . . . 10.0 109.238 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.91 -44.39 40.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.963 1.305 . . . . 10.0 111.278 169.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.09 -19.65 61.78 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.086 -1.009 . . . . 10.0 111.898 -175.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.58 -23.11 34.58 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 125.915 1.686 . . . . 10.0 110.451 169.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 -51.74 8.32 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.775 2.43 . . . . 10.0 116.094 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -140.76 47.46 1.11 Allowed Pre-proline 0 N--CA 1.489 1.516 0 C-N-CA 127.377 2.271 . . . . 10.0 109.748 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.566 7.5 Cg_exo -16.2 -90.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 2 N-CA-C 123.897 4.537 . . . . 10.0 123.897 -165.481 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.45 10.62 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 119.516 1.053 . . . . 10.0 113.802 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -49.48 106.85 0.68 Allowed Pre-proline 0 C--N 1.347 0.488 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 167.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.99 -24.54 45.39 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 N-CA-C 114.917 1.084 . . . . 10.0 114.917 -167.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.31 95.22 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.889 0.768 . . . . 10.0 112.122 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.46 -42.99 21.63 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.19 -34.66 78.6 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.701 1.137 . . . . 10.0 109.892 -179.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.12 56.71 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.858 1.208 . . . . 10.0 111.764 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.96 81.91 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.152 0.887 . . . . 10.0 111.313 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.8 t80 -61.1 -55.17 35.65 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.21 -0.931 . . . . 10.0 111.535 170.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.75 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.254 0.0 OUTLIER -66.35 -21.63 66.25 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.758 0.661 . . . . 10.0 111.463 -176.348 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -69.21 -52.78 24.37 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 125.297 1.439 . . . . 10.0 110.744 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -64.8 -37.26 87.0 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 125.037 1.335 . . . . 10.0 112.66 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.8 -38.14 60.81 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 129.551 3.14 . . . . 10.0 111.114 169.2 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -80.13 -41.25 25.79 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 123.581 0.752 . . . . 10.0 112.955 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.38 -32.63 67.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.073 0.851 . . . . 10.0 112.184 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 124.526 1.13 . . . . 10.0 111.109 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 107.694 -1.224 . . . . 10.0 107.694 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -38.0 84.91 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.661 2.384 . . . . 10.0 112.741 174.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -69.39 -45.6 68.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.691 1.597 . . . . 10.0 112.213 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.1 82.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.718 1.607 . . . . 10.0 110.965 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 64' ' ' THR . 29.5 tp60 -78.44 30.48 0.19 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.539 1.936 . . . . 10.0 114.229 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.7 t -145.48 18.22 1.51 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.683 3.193 . . . . 10.0 110.362 168.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -130.41 -47.29 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.996 2.519 . . . . 10.0 111.444 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -54.69 -37.35 65.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.997 1.719 . . . . 10.0 113.17 168.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.93 -25.81 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 130.694 3.598 . . . . 10.0 113.483 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -120.0 12.15 11.9 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.624 3.57 . . . . 10.0 111.928 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 t -113.3 -31.05 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 130.221 3.409 . . . . 10.0 110.385 169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.654 1.182 . . . . 10.0 108.881 167.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -63.02 -19.29 64.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.064 1.135 . . . . 10.0 114.064 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.38 -2.84 87.3 Favored Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.49 1.519 . . . . 10.0 114.617 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.41 -12.76 2.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.865 2.066 . . . . 10.0 113.915 -174.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.56 -50.34 60.27 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.684 1.593 . . . . 10.0 113.63 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.38 16.81 0.56 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.086 0.955 . . . . 10.0 113.53 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.91 -40.64 2.02 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.931 2.092 . . . . 10.0 110.267 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.77 -55.07 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 126.028 1.731 . . . . 10.0 112.513 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -68.13 -36.32 79.51 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.6 0.76 . . . . 10.0 111.044 171.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.84 -29.23 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 -173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -56.14 -24.87 43.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.707 1.203 . . . . 10.0 113.433 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.67 -3.76 38.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.212 2.605 . . . . 10.0 114.714 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.79 -17.16 21.0 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.809 1.781 . . . . 10.0 115.809 -169.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -98.28 -25.68 14.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.06 1.344 . . . . 10.0 114.291 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.362 0 O-C-N 121.213 -0.929 . . . . 10.0 111.703 175.762 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -69.94 -27.03 64.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.541 1.519 . . . . 10.0 111.038 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.98 -44.73 17.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.937 0.895 . . . . 10.0 112.415 169.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.94 -46.59 84.8 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.802 1.641 . . . . 10.0 111.862 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.72 -44.85 82.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.437 1.095 . . . . 10.0 109.937 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -59.33 -51.63 69.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.207 1.403 . . . . 10.0 114.32 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.19 -37.64 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 119.491 1.041 . . . . 10.0 110.963 177.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 m -69.74 -27.96 65.39 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 123.605 0.762 . . . . 10.0 111.448 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.09 -29.68 43.45 Favored 'General case' 0 N--CA 1.444 -0.768 0 O-C-N 120.801 -1.187 . . . . 10.0 111.145 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.82 92.49 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.716 -1.24 . . . . 10.0 109.562 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.08 -29.93 68.13 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.674 1.59 . . . . 10.0 113.177 169.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.52 -31.99 68.43 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 121.408 1.913 . . . . 10.0 109.144 171.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.13 -44.43 47.07 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.63 1.172 . . . . 10.0 111.431 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.23 -19.77 61.66 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.993 -1.067 . . . . 10.0 111.828 -175.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.92 -23.32 36.28 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.963 1.705 . . . . 10.0 110.455 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -52.14 7.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.796 2.438 . . . . 10.0 116.248 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.0 tttt -140.08 46.63 1.03 Allowed Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 127.361 2.264 . . . . 10.0 110.126 -175.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.579 6.6 Cg_exo -14.9 -91.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 2 N-CA-C 123.99 4.573 . . . . 10.0 123.99 -165.526 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.82 9.46 1.86 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -48.26 107.63 0.78 Allowed Pre-proline 0 C--N 1.347 0.465 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.17 -23.82 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 N-CA-C 114.809 1.042 . . . . 10.0 114.809 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.75 93.44 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.932 0.787 . . . . 10.0 111.947 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.56 -43.35 20.8 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.102 1.149 . . . . 10.0 114.102 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -34.8 78.76 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.787 1.176 . . . . 10.0 109.837 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.33 55.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 119.748 1.158 . . . . 10.0 111.79 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.25 79.56 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.21 -0.931 . . . . 10.0 111.33 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.6 t80 -61.44 -55.26 33.22 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 123.927 0.891 . . . . 10.0 111.557 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.257 0.0 OUTLIER -65.98 -24.64 66.83 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.802 0.811 . . . . 10.0 111.25 -176.185 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.3 m -66.86 -50.64 61.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 124.834 1.253 . . . . 10.0 111.125 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.35 -37.67 83.62 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.417 1.087 . . . . 10.0 112.646 -178.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.63 -39.96 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.296 3.038 . . . . 10.0 110.094 168.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -77.15 -42.21 38.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 171.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -58.57 -33.92 70.48 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.435 1.016 . . . . 10.0 112.27 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 124.257 1.023 . . . . 10.0 110.563 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.8 t80 . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -35.23 80.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.708 2.403 . . . . 10.0 113.002 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.05 -45.87 69.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.288 1.835 . . . . 10.0 111.027 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.29 88.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.132 1.773 . . . . 10.0 110.789 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 27.89 0.19 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.418 2.287 . . . . 10.0 113.306 168.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -144.5 18.32 1.69 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.912 2.885 . . . . 10.0 109.708 168.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -121.75 -51.76 2.03 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 128.027 2.531 . . . . 10.0 110.208 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -53.35 -38.83 63.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.703 2.001 . . . . 10.0 114.325 169.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.2 t -56.53 -44.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 128.561 2.744 . . . . 10.0 111.458 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.09 8.02 9.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 129.157 2.983 . . . . 10.0 113.258 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.27 -34.86 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 128.377 2.671 . . . . 10.0 111.234 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.159 -1.422 . . . . 10.0 107.159 166.568 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 m0 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -57.81 -21.92 44.63 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.373 1.249 . . . . 10.0 114.373 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.49 -5.41 78.99 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.959 1.266 . . . . 10.0 114.823 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -140.48 8.34 2.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.945 2.098 . . . . 10.0 113.076 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -46.07 -49.64 16.18 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.972 2.109 . . . . 10.0 114.507 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.37 12.59 1.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.964 1.098 . . . . 10.0 113.964 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -140.24 10.94 2.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.973 1.709 . . . . 10.0 112.027 169.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.33 -59.19 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 126.378 1.871 . . . . 10.0 110.765 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -66.43 -50.36 63.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.915 0.886 . . . . 10.0 110.191 169.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.71 59.2 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.16 1.17 . . . . 10.0 114.16 -171.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.97 -41.88 64.98 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.241 1.416 . . . . 10.0 110.701 169.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.37 -55.46 7.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.688 1.195 . . . . 10.0 110.909 168.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -29.36 68.43 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.533 2.049 . . . . 10.0 116.533 -169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -88.97 -30.68 18.6 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.403 -0.811 . . . . 10.0 113.077 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 O-C-N 121.457 -0.777 . . . . 10.0 111.723 178.297 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 113.855 1.058 . . . . 10.0 113.855 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.91 -27.86 65.13 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 120.13 1.332 . . . . 10.0 112.409 169.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.8 -44.56 18.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.681 0.792 . . . . 10.0 112.357 169.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -57.55 -46.74 83.54 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 126.892 2.077 . . . . 10.0 111.646 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.74 -46.5 81.34 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.469 1.108 . . . . 10.0 109.714 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.28 -51.82 68.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.265 1.426 . . . . 10.0 114.48 173.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.99 -37.67 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.396 0.998 . . . . 10.0 110.973 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 m -68.08 -27.64 66.67 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.534 0.734 . . . . 10.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -78.96 -29.0 43.72 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.867 -1.145 . . . . 10.0 111.186 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.91 93.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.608 -1.307 . . . . 10.0 109.306 167.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.45 -29.65 69.17 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.516 1.526 . . . . 10.0 113.4 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.48 -31.4 69.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 121.164 1.802 . . . . 10.0 109.136 172.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -75.46 -44.76 42.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.887 1.275 . . . . 10.0 111.152 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -19.7 61.62 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.025 -1.047 . . . . 10.0 111.798 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.9 37.02 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.948 1.699 . . . . 10.0 110.435 169.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.93 8.06 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.69 2.396 . . . . 10.0 116.164 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -141.34 49.13 1.4 Allowed Pre-proline 0 N--CA 1.49 1.563 0 C-N-CA 127.309 2.244 . . . . 10.0 109.682 -175.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.565 7.3 Cg_exo -17.17 -90.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.187 2 N-CA-C 123.79 4.496 . . . . 10.0 123.79 -165.601 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -76.06 10.53 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 119.699 1.136 . . . . 10.0 113.815 -169.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -49.22 106.92 0.68 Allowed Pre-proline 0 N--CA 1.469 0.493 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 167.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -66.24 -24.18 51.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 N-CA-C 115.9 1.462 . . . . 10.0 115.9 -166.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.3 77.92 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.853 0.751 . . . . 10.0 112.388 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.2 -42.38 23.43 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.038 0.835 . . . . 10.0 112.979 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.64 -44.15 97.0 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 117.621 -1.18 . . . . 10.0 108.519 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.88 -19.93 60.56 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.258 2.299 . . . . 10.0 112.521 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.63 79.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.332 0.969 . . . . 10.0 109.761 168.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -61.54 -51.02 70.31 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 123.844 0.858 . . . . 10.0 109.974 168.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.4 mm100 -54.6 -31.42 57.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.474 1.11 . . . . 10.0 112.084 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -50.57 21.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.189 0.996 . . . . 10.0 112.243 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.42 -34.25 76.85 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 124.2 1.0 . . . . 10.0 112.326 -178.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -54.06 -43.24 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 129.205 3.002 . . . . 10.0 109.996 168.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -73.52 -42.21 62.04 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.561 0.745 . . . . 10.0 112.898 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.37 72.47 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.328 -0.858 . . . . 10.0 112.387 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.445 0 C-N-CA 123.929 0.892 . . . . 10.0 110.242 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 14.3 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 107.679 -1.23 . . . . 10.0 107.679 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -35.78 81.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.186 2.194 . . . . 10.0 113.466 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.41 -45.15 80.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.638 1.575 . . . . 10.0 110.741 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.1 -41.95 98.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.118 1.767 . . . . 10.0 111.189 170.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -79.28 30.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.027 2.131 . . . . 10.0 113.588 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.18 17.77 1.38 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.291 3.037 . . . . 10.0 109.949 168.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -125.33 -51.02 1.64 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 127.361 2.265 . . . . 10.0 110.441 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -51.94 -41.04 61.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.378 1.871 . . . . 10.0 113.791 169.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.6 t -50.9 -29.81 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 130.317 3.447 . . . . 10.0 113.448 170.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -113.14 14.4 19.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 130.352 3.461 . . . . 10.0 112.544 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -34.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 129.308 3.043 . . . . 10.0 110.332 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 CA--C 1.551 1.012 0 N-CA-C 107.443 -1.317 . . . . 10.0 107.443 166.595 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 114.925 1.454 . . . . 10.0 114.925 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -58.78 -22.95 59.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.907 1.283 . . . . 10.0 114.415 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 -3.7 82.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.633 1.111 . . . . 10.0 114.767 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -142.24 7.13 1.76 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.447 2.299 . . . . 10.0 113.098 -170.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 tp -48.73 -51.24 29.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.307 1.843 . . . . 10.0 114.65 -168.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.15 10.33 1.59 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.375 1.25 . . . . 10.0 114.375 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -122.87 -32.14 3.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.225 1.81 . . . . 10.0 111.343 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -82.59 -60.87 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 126.016 1.726 . . . . 10.0 111.903 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -60.84 -39.2 88.18 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.873 0.869 . . . . 10.0 110.962 172.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.74 69.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -58.87 -29.23 66.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.421 1.088 . . . . 10.0 112.806 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.61 -28.8 15.19 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.654 2.382 . . . . 10.0 112.872 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.31 -19.92 16.52 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.014 1.857 . . . . 10.0 116.014 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -95.0 -25.98 16.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.144 1.165 . . . . 10.0 114.144 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 O-C-N 121.015 -1.053 . . . . 10.0 111.573 176.533 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.35 -23.35 62.79 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.035 1.289 . . . . 10.0 110.943 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 27' ' ' VAL 0.381 0.4 OUTLIER -85.53 -42.64 14.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.467 0.707 . . . . 10.0 112.285 168.876 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 22.4 tp60 -55.61 -47.86 75.84 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 126.577 1.951 . . . . 10.0 111.799 173.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.4 -45.19 84.81 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 124.539 1.136 . . . . 10.0 109.888 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -59.3 -50.12 75.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.549 1.54 . . . . 10.0 114.213 173.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.54 -38.49 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 119.458 1.026 . . . . 10.0 110.638 176.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.9 m -68.31 -27.47 66.32 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.581 0.752 . . . . 10.0 111.268 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.93 -29.44 39.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.997 -1.065 . . . . 10.0 111.021 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.2 96.38 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.75 -1.218 . . . . 10.0 109.23 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.99 -29.86 68.98 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.467 1.507 . . . . 10.0 113.181 169.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.94 -33.38 70.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 121.544 1.975 . . . . 10.0 109.182 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -72.71 -44.16 62.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.538 1.135 . . . . 10.0 111.236 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.95 -19.95 61.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.01 -1.056 . . . . 10.0 111.855 -175.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.63 38.44 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 125.984 1.714 . . . . 10.0 110.242 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.32 -53.47 6.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.031 2.533 . . . . 10.0 116.533 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HB3' HD21 ' A' ' 43' ' ' LEU . 33.6 ttmt -139.56 49.04 1.81 Allowed Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 127.407 2.283 . . . . 10.0 109.544 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.568 6.7 Cg_exo -17.09 -89.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 2 N-CA-C 123.863 4.524 . . . . 10.0 123.863 -165.593 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 10.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.548 1.067 . . . . 10.0 113.876 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.35 107.09 0.71 Allowed Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 167.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.6 -23.95 48.97 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 N-CA-C 115.956 1.483 . . . . 10.0 115.956 -166.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.5 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.793 0.724 . . . . 10.0 112.237 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.22 -41.95 24.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.177 0.899 . . . . 10.0 112.564 170.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.08 -45.26 92.96 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 117.84 -1.076 . . . . 10.0 108.699 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.83 60.51 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 121.925 2.148 . . . . 10.0 112.229 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.18 78.26 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.499 1.045 . . . . 10.0 109.81 168.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -61.69 -52.71 63.2 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 118.649 -0.691 . . . . 10.0 109.623 168.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.5 mm100 -54.23 -31.7 54.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 10.0 112.197 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.4 m -72.35 -55.25 7.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.074 0.95 . . . . 10.0 111.586 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -63.06 -37.36 86.88 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.627 1.171 . . . . 10.0 112.126 -177.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.32 -42.32 61.13 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 129.349 3.06 . . . . 10.0 110.942 168.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -78.34 -41.99 31.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.704 0.801 . . . . 10.0 112.615 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -57.99 -35.16 70.82 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 118.779 0.718 . . . . 10.0 111.548 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 C-N-CA 124.848 1.259 . . . . 10.0 110.243 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -42.2 99.45 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 128.271 2.628 . . . . 10.0 112.704 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.79 -44.23 81.85 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.345 1.458 . . . . 10.0 111.553 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.83 90.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.699 1.6 . . . . 10.0 110.719 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.0 OUTLIER -76.98 25.34 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.095 1.758 . . . . 10.0 114.751 169.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t -143.39 16.05 1.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 128.82 2.848 . . . . 10.0 110.394 168.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.98 -49.65 1.96 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.012 2.525 . . . . 10.0 110.219 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -49.75 -42.93 47.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.669 1.988 . . . . 10.0 113.246 169.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.5 -26.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 130.793 3.637 . . . . 10.0 113.704 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -113.95 11.93 17.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 130.446 3.498 . . . . 10.0 112.046 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 4.7 t -114.11 -33.77 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 129.111 2.964 . . . . 10.0 110.945 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 167.415 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 113.518 0.932 . . . . 10.0 113.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.52 -1.74 3.95 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.498 1.295 . . . . 10.0 114.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.11 23.68 4.61 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.052 1.787 . . . . 10.0 113.683 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -150.08 -43.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.699 1.599 . . . . 10.0 113.56 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.94 -37.15 68.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.336 1.854 . . . . 10.0 112.444 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.83 -16.42 40.89 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -97.4 -34.88 10.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.301 1.04 . . . . 10.0 112.888 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.9 t -71.46 -55.68 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.304 1.841 . . . . 10.0 111.591 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -65.62 -29.16 69.71 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.577 1.151 . . . . 10.0 112.226 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.16 -24.45 67.69 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.932 -1.105 . . . . 10.0 113.378 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -62.47 -35.19 78.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.041 0.936 . . . . 10.0 112.375 170.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -49.43 60.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.58 1.152 . . . . 10.0 108.492 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.98 -24.77 55.69 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.055 1.872 . . . . 10.0 116.055 -171.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -98.26 -28.04 13.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.017 1.118 . . . . 10.0 114.017 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.099 0 O-C-N 120.969 -1.082 . . . . 10.0 111.964 174.475 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 N--CA 1.445 -0.706 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -26.97 64.61 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 120.064 1.302 . . . . 10.0 111.891 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.3 -43.61 18.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.801 0.84 . . . . 10.0 112.506 169.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.94 -47.11 83.85 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 126.416 1.886 . . . . 10.0 111.784 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.8 -45.39 82.26 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.557 1.143 . . . . 10.0 109.758 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.76 68.46 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.142 1.377 . . . . 10.0 114.482 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.45 -37.85 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.494 1.043 . . . . 10.0 111.033 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -67.71 -27.45 66.82 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 123.575 0.75 . . . . 10.0 111.331 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.83 -28.2 40.16 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 120.826 -1.171 . . . . 10.0 111.427 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.25 91.83 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.406 -1.434 . . . . 10.0 109.121 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -67.96 -29.82 68.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.455 1.502 . . . . 10.0 113.274 169.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.37 -31.94 68.11 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.421 1.919 . . . . 10.0 109.441 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -75.11 -44.61 46.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.814 1.246 . . . . 10.0 111.357 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -19.73 61.69 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 122.212 1.005 . . . . 10.0 111.859 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.85 -22.98 36.66 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.814 1.645 . . . . 10.0 110.444 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -52.42 7.54 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.792 2.437 . . . . 10.0 116.235 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.6 ttmt -140.53 48.77 1.48 Allowed Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 127.378 2.271 . . . . 10.0 109.653 -176.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.564 7.4 Cg_exo -16.87 -90.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 2 N-CA-C 123.862 4.524 . . . . 10.0 123.862 -165.539 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.92 10.57 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 119.581 1.082 . . . . 10.0 113.848 -169.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.19 106.68 0.65 Allowed Pre-proline 0 N--CA 1.469 0.517 0 N-CA-C 105.816 -1.92 . . . . 10.0 105.816 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.09 -23.87 52.81 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 N-CA-C 115.993 1.497 . . . . 10.0 115.993 -166.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.82 76.1 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.873 0.76 . . . . 10.0 112.583 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.14 -42.0 24.34 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.151 0.887 . . . . 10.0 112.942 170.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.21 -44.6 94.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 117.705 -1.141 . . . . 10.0 108.243 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.05 -19.86 60.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 122.249 2.295 . . . . 10.0 112.434 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.17 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.412 1.005 . . . . 10.0 109.697 168.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.83 -51.34 69.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.96 0.904 . . . . 10.0 109.923 168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.0 mm100 -54.79 -31.19 58.65 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.378 1.071 . . . . 10.0 112.09 176.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -73.57 -50.24 22.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.199 1.0 . . . . 10.0 112.067 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.82 -36.15 81.71 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 124.263 1.025 . . . . 10.0 112.047 -177.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -52.16 -40.55 61.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.354 3.062 . . . . 10.0 110.474 168.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 m -78.69 -41.18 31.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.987 0.915 . . . . 10.0 113.108 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -58.81 -34.5 71.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.33 0.968 . . . . 10.0 112.156 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 C-N-CA 124.349 1.06 . . . . 10.0 110.369 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.3 t80 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -35.32 80.07 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.098 2.159 . . . . 10.0 113.43 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.1 -44.49 76.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.643 1.577 . . . . 10.0 110.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.26 97.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.593 1.557 . . . . 10.0 111.353 170.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 64' ' ' THR . 5.6 tp60 -81.78 33.36 0.37 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.209 1.804 . . . . 10.0 114.179 169.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 t -137.92 -24.66 1.01 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 129.787 3.235 . . . . 10.0 109.88 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -75.33 -52.4 10.91 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.12 1.768 . . . . 10.0 113.925 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 61' ' ' GLN . 9.8 t -52.06 -40.47 61.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.782 2.033 . . . . 10.0 114.273 174.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -57.78 -30.77 38.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 129.716 3.206 . . . . 10.0 112.179 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.56 11.89 38.52 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 129.952 3.301 . . . . 10.0 113.954 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.5 t -114.78 -35.11 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 128.638 2.775 . . . . 10.0 111.16 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 108.388 -0.967 . . . . 10.0 108.388 167.477 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.928 1.084 . . . . 10.0 113.928 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -59.06 -18.23 33.01 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.67 -0.21 64.66 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.397 1.475 . . . . 10.0 114.802 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.2 -12.78 1.4 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.165 1.786 . . . . 10.0 113.719 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -40.26 -52.55 2.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.654 2.782 . . . . 10.0 114.605 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.47 8.36 2.89 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.233 1.197 . . . . 10.0 114.233 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.37 0.63 6.33 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.572 1.549 . . . . 10.0 112.43 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -112.55 -62.29 2.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 C-N-CA 127.102 2.161 . . . . 10.0 110.702 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -61.88 -33.93 75.1 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.186 0.994 . . . . 10.0 111.938 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -15.34 47.92 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.968 1.099 . . . . 10.0 113.968 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -55.62 -38.29 69.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.058 0.943 . . . . 10.0 111.69 169.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.6 83.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.958 1.303 . . . . 10.0 111.64 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -18.39 58.04 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.978 1.473 . . . . 10.0 114.978 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -109.84 -24.83 10.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.414 1.485 . . . . 10.0 114.163 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.087 0 O-C-N 120.691 -1.256 . . . . 10.0 112.547 171.335 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -70.28 -27.09 64.14 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 120.129 1.331 . . . . 10.0 111.525 168.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.11 -44.87 17.31 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.064 0.946 . . . . 10.0 112.399 169.605 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 61.5 tp60 -56.46 -47.81 78.4 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.877 1.671 . . . . 10.0 112.01 174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.65 -44.59 81.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.377 1.071 . . . . 10.0 109.891 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.62 -51.99 67.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.201 1.4 . . . . 10.0 114.474 172.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.73 -37.53 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 119.489 1.04 . . . . 10.0 111.058 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -69.83 -27.93 65.27 Favored 'General case' 0 C--O 1.219 -0.54 0 C-N-CA 123.852 0.861 . . . . 10.0 111.527 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -79.44 -29.23 41.74 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 120.777 -1.202 . . . . 10.0 110.986 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.64 91.73 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.636 -1.29 . . . . 10.0 109.461 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.87 -29.97 68.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.657 1.583 . . . . 10.0 113.288 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.39 -31.47 67.71 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 121.31 1.868 . . . . 10.0 109.221 171.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.93 -44.44 40.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.846 1.258 . . . . 10.0 111.482 169.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.28 -19.79 61.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.994 -1.066 . . . . 10.0 111.801 -175.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.65 -23.33 37.0 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.848 1.659 . . . . 10.0 110.44 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -52.15 7.81 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.735 2.414 . . . . 10.0 116.12 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.8 tttt -140.27 47.63 1.23 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 127.286 2.234 . . . . 10.0 110.089 -175.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.573 6.6 Cg_exo -15.94 -91.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.104 2 N-CA-C 123.931 4.551 . . . . 10.0 123.931 -165.444 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.92 9.54 1.86 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.998 1.11 . . . . 10.0 113.998 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -48.49 107.6 0.78 Allowed Pre-proline 0 N--CA 1.469 0.499 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 167.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.01 -24.01 39.73 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 N-CA-C 114.65 0.981 . . . . 10.0 114.65 -167.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.82 94.13 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.033 0.833 . . . . 10.0 111.959 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.51 -43.59 20.51 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.173 1.175 . . . . 10.0 114.173 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.525 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.73 -34.85 78.81 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.797 1.181 . . . . 10.0 109.732 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.84 -27.3 55.07 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.721 -1.237 . . . . 10.0 112.008 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.43 77.76 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.45 -0.781 . . . . 10.0 111.26 169.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.2 t80 -61.12 -54.98 37.81 Favored 'General case' 0 CA--C 1.503 -0.861 0 O-C-N 121.158 -0.964 . . . . 10.0 111.69 170.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.2 pp0? -65.87 -24.83 66.95 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.846 0.831 . . . . 10.0 111.146 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -66.6 -50.25 63.65 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.452 1.101 . . . . 10.0 111.127 169.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.05 -37.54 84.25 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.561 1.145 . . . . 10.0 112.798 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.47 -37.82 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 129.381 3.072 . . . . 10.0 110.557 168.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -79.4 -41.22 28.2 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -58.28 -34.2 70.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.506 1.048 . . . . 10.0 112.088 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 124.325 1.05 . . . . 10.0 110.681 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.3 t80 . . . . . 0 CA--C 1.552 1.045 0 CA-C-O 122.397 1.094 . . . . 10.0 108.359 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -39.73 89.02 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.47 2.308 . . . . 10.0 113.35 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -66.42 -40.3 89.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.506 1.522 . . . . 10.0 111.124 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.9 -41.35 95.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.219 1.408 . . . . 10.0 110.833 170.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -76.89 32.23 0.14 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.045 2.138 . . . . 10.0 114.452 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -140.98 -38.6 0.42 Allowed 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.099 2.959 . . . . 10.0 108.208 168.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -58.59 -53.17 61.31 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 125.428 1.491 . . . . 10.0 112.409 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.2 t -53.25 -46.58 69.25 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.885 2.074 . . . . 10.0 114.415 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 65' ' ' VAL . 1.4 t -57.95 -35.66 52.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 129.139 2.975 . . . . 10.0 111.46 174.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -97.19 10.97 37.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 130.817 3.647 . . . . 10.0 113.803 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.5 -31.82 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 C-N-CA 129.228 3.011 . . . . 10.0 110.938 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 . . . . . 0 CA--C 1.551 1.012 0 N-CA-C 107.603 -1.258 . . . . 10.0 107.603 167.372 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -52.25 -25.82 10.31 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.117 1.895 . . . . 10.0 116.117 -174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.87 6.65 82.61 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.18 1.371 . . . . 10.0 115.081 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -145.49 -56.14 0.31 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.808 1.643 . . . . 10.0 113.09 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.95 -31.88 73.06 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.357 2.263 . . . . 10.0 113.026 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.48 -3.61 9.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.37 1.248 . . . . 10.0 114.37 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -121.67 13.03 10.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.901 1.68 . . . . 10.0 112.525 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.65 -58.82 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 127.762 2.425 . . . . 10.0 110.598 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -64.36 -31.9 73.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.048 0.939 . . . . 10.0 112.214 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.16 67.81 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.039 1.126 . . . . 10.0 114.039 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.455 1.102 . . . . 10.0 113.559 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -97.55 -34.72 10.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.815 1.246 . . . . 10.0 112.442 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -24.58 -60.74 0.06 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.849 2.86 . . . . 10.0 118.426 -168.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 t -87.36 -29.15 21.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.924 0 O-C-N 121.242 -0.911 . . . . 10.0 111.385 174.41 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 113.514 0.931 . . . . 10.0 113.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.4 -26.12 64.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.156 1.343 . . . . 10.0 112.443 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.68 -41.5 17.67 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.996 0.918 . . . . 10.0 112.914 169.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -59.45 -46.41 88.85 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 127.203 2.201 . . . . 10.0 111.492 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.2 -44.94 79.95 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.527 1.131 . . . . 10.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.19 -51.6 69.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.19 1.396 . . . . 10.0 114.581 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.95 -37.4 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 119.628 1.103 . . . . 10.0 110.98 177.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 m -69.43 -28.19 65.92 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.934 0.894 . . . . 10.0 111.273 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 -28.7 43.62 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 120.838 -1.164 . . . . 10.0 111.106 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.54 90.25 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.657 -1.277 . . . . 10.0 109.537 167.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.85 -29.64 68.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.716 1.606 . . . . 10.0 113.252 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -30.82 67.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.26 1.845 . . . . 10.0 109.32 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -76.73 -44.43 33.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.067 1.347 . . . . 10.0 111.438 169.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.3 -19.81 61.61 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.997 -1.064 . . . . 10.0 111.751 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.34 -23.45 37.77 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.828 1.651 . . . . 10.0 110.406 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -51.85 8.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.667 2.387 . . . . 10.0 116.206 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.7 tttt -140.82 48.56 1.35 Allowed Pre-proline 0 N--CA 1.489 1.505 0 C-N-CA 127.254 2.222 . . . . 10.0 110.024 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.574 6.9 Cg_exo -16.67 -90.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 2 N-CA-C 123.987 4.572 . . . . 10.0 123.987 -165.399 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.5 p -75.1 9.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 119.753 1.161 . . . . 10.0 114.057 -169.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -48.66 107.79 0.82 Allowed Pre-proline 0 N--CA 1.469 0.476 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 167.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.23 -23.95 38.46 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 N-CA-C 114.731 1.012 . . . . 10.0 114.731 -167.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.52 94.5 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.085 0.857 . . . . 10.0 111.917 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.57 -43.86 19.94 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 170.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 -34.66 78.35 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.832 -1.168 . . . . 10.0 109.793 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.44 -29.13 56.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.786 -1.196 . . . . 10.0 111.839 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.23 83.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.274 -0.891 . . . . 10.0 111.423 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.8 t80 -61.07 -55.3 34.26 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 124.122 0.969 . . . . 10.0 111.609 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.774 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.0 pp0? -65.67 -25.98 67.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.785 0.802 . . . . 10.0 111.276 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -65.83 -50.13 65.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 124.579 1.152 . . . . 10.0 111.2 169.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.29 -37.69 83.82 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.168 0.987 . . . . 10.0 112.52 -178.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -53.58 -35.97 61.41 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 129.675 3.19 . . . . 10.0 110.637 168.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.19 -42.62 23.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 170.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -58.63 -34.44 71.19 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.289 0.949 . . . . 10.0 112.331 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 124.692 1.197 . . . . 10.0 111.058 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -39.31 93.93 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 126.976 2.111 . . . . 10.0 112.845 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.73 -44.16 86.83 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.448 1.499 . . . . 10.0 111.024 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.79 97.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.105 1.762 . . . . 10.0 111.442 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -79.15 25.75 0.29 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.455 1.502 . . . . 10.0 113.537 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -141.05 18.12 2.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.247 3.019 . . . . 10.0 109.669 168.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -122.32 -51.32 1.98 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 127.478 2.311 . . . . 10.0 110.333 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -49.81 -43.05 48.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.708 2.003 . . . . 10.0 113.645 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.1 -28.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 130.535 3.534 . . . . 10.0 113.588 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -115.06 15.96 17.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 130.447 3.499 . . . . 10.0 112.404 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.8 t -115.8 -33.22 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 129.493 3.117 . . . . 10.0 110.258 173.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 CA--C 1.554 1.096 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 166.27 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -50.0 -22.64 1.65 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 118.947 2.943 . . . . 10.0 118.947 -168.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.36 1.5 82.23 Favored Glycine 0 CA--C 1.539 1.58 0 CA-C-N 119.828 1.195 . . . . 10.0 114.842 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -143.02 -40.1 0.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.867 2.067 . . . . 10.0 113.569 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.46 -42.83 67.59 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.102 1.761 . . . . 10.0 114.18 -169.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.33 -25.84 59.99 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -172.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -97.51 -41.62 8.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.022 0.929 . . . . 10.0 113.014 169.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.95 -47.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.407 1.483 . . . . 10.0 112.19 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -64.45 -47.57 78.54 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.758 1.223 . . . . 10.0 111.804 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.13 -32.57 72.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 119.284 -0.966 . . . . 10.0 112.371 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -66.11 -40.21 90.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.81 2.044 . . . . 10.0 112.295 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -18.33 60.69 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 115.72 1.748 . . . . 10.0 115.72 177.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -35.92 -39.13 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 118.552 2.797 . . . . 10.0 118.552 -168.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -105.31 -25.06 12.56 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.108 0 O-C-N 120.685 -1.259 . . . . 10.0 111.271 171.058 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 8.1 t70 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 113.527 0.936 . . . . 10.0 113.527 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.6 -27.09 64.8 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 120.054 1.297 . . . . 10.0 110.818 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.75 -45.35 17.2 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 170.035 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 72.5 tp60 -54.43 -48.04 72.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.116 1.766 . . . . 10.0 111.971 172.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -57.71 -43.88 85.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.406 1.003 . . . . 10.0 110.012 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.73 -52.36 65.76 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.203 1.401 . . . . 10.0 114.318 170.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.01 -37.5 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.785 1.175 . . . . 10.0 111.463 177.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -70.52 -27.68 64.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.035 0.934 . . . . 10.0 111.048 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.04 -28.84 43.28 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.972 -1.08 . . . . 10.0 111.201 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.9 92.5 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.618 -1.301 . . . . 10.0 109.562 167.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.71 -29.57 68.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.704 1.602 . . . . 10.0 113.076 169.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.57 -31.86 68.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 121.402 1.91 . . . . 10.0 109.228 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.36 -44.26 46.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.913 1.285 . . . . 10.0 111.336 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.65 -19.82 61.37 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.051 -1.031 . . . . 10.0 111.88 -175.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.72 -23.17 36.92 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 125.885 1.674 . . . . 10.0 110.315 169.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.78 -52.24 7.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.684 2.394 . . . . 10.0 116.184 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.3 tttt -140.44 48.28 1.37 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 127.205 2.202 . . . . 10.0 110.007 -175.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.6 Cg_exo -16.37 -90.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 2 N-CA-C 123.975 4.567 . . . . 10.0 123.975 -165.56 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.06 9.43 1.97 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.001 1.111 . . . . 10.0 114.001 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.73 107.72 0.81 Allowed Pre-proline 0 C--N 1.347 0.473 0 N-CA-C 106.147 -1.797 . . . . 10.0 106.147 167.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.05 -24.38 39.03 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 N-CA-C 114.884 1.071 . . . . 10.0 114.884 -167.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.01 93.99 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.018 0.827 . . . . 10.0 112.008 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.53 20.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.17 -35.03 79.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.776 1.171 . . . . 10.0 109.893 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.85 -27.66 55.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.805 1.184 . . . . 10.0 111.891 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.25 80.66 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.475 -0.766 . . . . 10.0 111.125 169.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.428 ' CB ' HD12 ' A' ' 34' ' ' LEU . 49.2 t80 -60.86 -54.95 38.8 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.158 -0.964 . . . . 10.0 111.71 170.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.9 pp0? -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.86 0.838 . . . . 10.0 111.066 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -66.45 -49.6 66.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.575 1.15 . . . . 10.0 111.27 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.76 -38.18 83.1 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.692 1.197 . . . . 10.0 112.63 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.31 -36.34 61.14 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 129.479 3.111 . . . . 10.0 110.457 168.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -80.11 -42.38 23.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.216 0.821 . . . . 10.0 113.216 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -57.74 -35.41 70.67 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.699 1.136 . . . . 10.0 112.25 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 124.798 1.239 . . . . 10.0 111.305 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.1 t80 . . . . . 0 CA--C 1.552 1.024 0 CA-C-O 122.454 1.121 . . . . 10.0 108.196 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -66.23 -39.26 89.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.296 2.638 . . . . 10.0 113.308 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -66.1 -42.1 89.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.776 1.63 . . . . 10.0 111.18 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.899 1.68 . . . . 10.0 110.369 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -79.29 30.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 123.508 1.623 . . . . 10.0 113.773 168.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 t -142.29 12.75 1.98 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 129.996 3.318 . . . . 10.0 110.505 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -123.07 -48.71 1.98 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 127.918 2.487 . . . . 10.0 111.117 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.3 t -55.47 -35.96 66.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.279 1.831 . . . . 10.0 113.358 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.8 t -53.48 -32.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 129.899 3.28 . . . . 10.0 112.819 170.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -101.23 11.38 39.47 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 129.857 3.263 . . . . 10.0 112.797 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -116.63 -33.47 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 129.196 2.998 . . . . 10.0 111.298 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 167.412 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -108.83 -3.17 17.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.259 0.936 . . . . 10.0 113.355 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.77 -37.36 0.36 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.511 1.529 . . . . 10.0 112.494 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.6 -50.03 72.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.234 1.017 . . . . 10.0 111.924 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.17 -41.17 78.74 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.96 0.904 . . . . 10.0 111.709 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.14 -5.44 6.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.769 1.227 . . . . 10.0 113.907 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -107.29 -35.68 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.434 1.494 . . . . 10.0 112.068 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.28 -56.11 10.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 125.738 1.615 . . . . 10.0 111.948 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.9 t -63.7 -37.3 86.85 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.663 1.185 . . . . 10.0 111.742 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.71 74.9 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 4.6 ptmt -58.55 -17.29 20.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.24 1.416 . . . . 10.0 113.844 174.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CD2' ' HG2' ' A' ' 15' ' ' LYS . 40.8 m-85 -114.85 4.3 14.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 10.0 115.496 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.67 -15.9 22.73 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.817 1.784 . . . . 10.0 115.817 -169.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -97.14 -30.44 13.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.203 1.401 . . . . 10.0 114.157 171.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 O-C-N 120.664 -1.272 . . . . 10.0 111.799 176.08 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 113.77 1.026 . . . . 10.0 113.77 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.29 -26.49 63.83 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.371 1.442 . . . . 10.0 110.341 167.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.35 -46.04 16.74 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.505 0.722 . . . . 10.0 112.302 169.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.06 -47.17 81.62 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.385 1.474 . . . . 10.0 112.014 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.88 -45.22 82.67 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.441 1.097 . . . . 10.0 109.845 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.77 68.39 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.23 1.412 . . . . 10.0 114.247 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.61 -37.88 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.113 0.87 . . . . 10.0 111.066 177.279 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 m -68.91 -28.0 66.28 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 123.58 0.752 . . . . 10.0 111.305 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.677 -1.264 . . . . 10.0 111.126 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.62 90.94 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.669 -1.269 . . . . 10.0 109.553 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.57 -29.83 68.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.624 1.57 . . . . 10.0 113.228 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.73 -31.28 68.16 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.232 1.833 . . . . 10.0 109.225 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -76.28 -44.28 37.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.906 1.282 . . . . 10.0 111.494 169.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.3 -19.65 61.64 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.076 -1.015 . . . . 10.0 111.876 -175.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.97 -23.21 36.2 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 125.997 1.719 . . . . 10.0 110.411 169.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -51.57 8.5 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.683 2.393 . . . . 10.0 116.33 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 40.4 tttm -140.81 46.67 0.95 Allowed Pre-proline 0 N--CA 1.49 1.566 0 C-N-CA 127.298 2.239 . . . . 10.0 110.26 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.587 6.4 Cg_exo -14.66 -92.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.173 2 N-CA-C 123.943 4.555 . . . . 10.0 123.943 -165.43 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.4 p -74.34 9.23 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.645 1.111 . . . . 10.0 113.982 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -48.36 107.31 0.73 Allowed Pre-proline 0 C--N 1.347 0.491 0 N-CA-C 106.296 -1.742 . . . . 10.0 106.296 167.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.68 -24.61 41.06 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 N-CA-C 114.737 1.014 . . . . 10.0 114.737 -167.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.51 95.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.087 0.858 . . . . 10.0 112.076 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.63 19.82 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 170.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.47 -34.56 78.03 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.627 1.103 . . . . 10.0 109.622 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.68 -27.65 55.63 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 120.747 -1.221 . . . . 10.0 111.973 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.6 -35.38 78.87 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.368 -0.832 . . . . 10.0 111.321 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.2 t80 -61.82 -54.79 37.34 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 124.057 0.943 . . . . 10.0 111.728 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.779 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.6 pp0? -64.74 -26.57 68.42 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.667 0.746 . . . . 10.0 111.293 -177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -65.91 -48.04 72.76 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.411 1.085 . . . . 10.0 111.846 169.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -69.73 -36.99 76.35 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.024 0.929 . . . . 10.0 112.607 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.61 -41.81 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 128.802 2.841 . . . . 10.0 109.304 168.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 m -72.58 -42.0 65.06 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -61.36 -35.1 76.51 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.183 0.901 . . . . 10.0 112.339 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 C-N-CA 123.927 0.891 . . . . 10.0 109.779 175.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 22.9 t80 . . . . . 0 CA--C 1.553 1.079 0 N-CA-C 107.677 -1.231 . . . . 10.0 107.677 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.91 74.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.27 2.228 . . . . 10.0 114.158 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -65.58 -44.94 85.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.659 1.584 . . . . 10.0 110.489 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.74 99.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.381 1.872 . . . . 10.0 111.355 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.08 35.2 0.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 123.823 1.773 . . . . 10.0 113.836 169.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 t -144.32 9.37 1.42 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.243 3.417 . . . . 10.0 110.226 168.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -116.47 -50.86 2.62 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 127.714 2.406 . . . . 10.0 110.51 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -56.84 -35.66 69.09 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 10.0 114.147 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' H ' HG23 ' A' ' 65' ' ' VAL . 3.0 t -57.12 -47.67 83.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 128.202 2.601 . . . . 10.0 111.073 171.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.73 7.11 3.29 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 129.084 2.953 . . . . 10.0 113.361 172.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -35.9 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 128.623 2.769 . . . . 10.0 111.286 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 107.015 -1.476 . . . . 10.0 107.015 166.267 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.5 m95 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -62.33 -21.83 65.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.696 1.589 . . . . 10.0 114.319 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.51 -2.05 82.76 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.93 1.252 . . . . 10.0 115.263 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -144.08 8.12 1.42 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.517 1.527 . . . . 10.0 114.032 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -51.22 -44.47 61.64 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.507 1.923 . . . . 10.0 113.176 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -71.51 11.95 0.41 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -122.19 -46.79 2.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.573 1.949 . . . . 10.0 109.582 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.2 -43.73 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 125.91 1.684 . . . . 10.0 113.262 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 t -79.16 -38.84 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.827 0.851 . . . . 10.0 111.102 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.34 -22.95 64.65 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -173.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.518 1.127 . . . . 10.0 111.802 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -46.45 63.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.892 1.277 . . . . 10.0 111.153 170.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.41 -21.1 66.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.808 1.411 . . . . 10.0 114.808 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -98.84 -30.83 12.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.604 1.162 . . . . 10.0 113.539 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 120.974 -1.079 . . . . 10.0 112.382 174.404 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 113.373 0.879 . . . . 10.0 113.373 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -69.61 -27.63 65.25 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.231 1.378 . . . . 10.0 111.374 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -79.98 -44.6 19.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.498 0.719 . . . . 10.0 111.664 169.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -58.0 -46.98 84.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.218 1.407 . . . . 10.0 112.072 176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.51 -46.01 84.29 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.586 1.154 . . . . 10.0 109.843 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 14.4 mt-30 -58.95 -49.42 77.9 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.548 1.539 . . . . 10.0 114.826 174.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 50' ' ' LYS . 1.1 m -66.95 -36.66 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 120.797 -1.189 . . . . 10.0 112.052 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -66.69 -27.52 67.72 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.08 0.552 . . . . 10.0 110.907 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.66 -28.7 40.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.015 -1.053 . . . . 10.0 111.583 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.62 97.31 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.553 -1.342 . . . . 10.0 108.993 167.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.25 -30.17 70.55 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.272 1.429 . . . . 10.0 112.911 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.43 -34.27 72.29 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 121.769 2.077 . . . . 10.0 109.374 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.6 -43.47 69.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.192 0.997 . . . . 10.0 111.144 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -20.25 60.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.316 1.055 . . . . 10.0 111.787 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -23.15 38.91 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 126.025 1.73 . . . . 10.0 109.928 169.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.63 5.41 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.117 2.567 . . . . 10.0 116.543 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' A' ' 43' ' ' LEU . 66.1 tttt -138.16 49.13 2.3 Favored Pre-proline 0 N--CA 1.491 1.596 0 C-N-CA 127.477 2.311 . . . . 10.0 109.847 -176.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -16.89 -89.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.265 2 N-CA-C 123.88 4.531 . . . . 10.0 123.88 -165.501 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -76.33 10.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.52 107.58 0.81 Allowed Pre-proline 0 C--N 1.348 0.528 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 167.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.17 -24.06 44.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 N-CA-C 115.704 1.386 . . . . 10.0 115.704 -166.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.1 75.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.945 0.793 . . . . 10.0 112.397 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.05 -42.0 24.59 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.147 0.885 . . . . 10.0 112.792 170.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.44 -44.96 93.04 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.673 -1.156 . . . . 10.0 108.995 -179.502 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -75.33 -19.84 59.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 121.828 2.104 . . . . 10.0 112.123 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.43 79.7 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.303 0.956 . . . . 10.0 109.436 167.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -61.85 -51.86 66.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 118.67 -0.681 . . . . 10.0 109.641 168.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HA ' HD13 ' A' ' 51' ' ' LEU . 43.6 mm-40 -55.54 -31.47 62.14 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.248 1.019 . . . . 10.0 112.288 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 t -76.0 -48.79 19.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.908 1.283 . . . . 10.0 112.009 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 26.6 mmmt -66.47 -36.0 81.68 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -49.35 -40.78 36.76 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 128.738 2.815 . . . . 10.0 110.283 168.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -80.34 -38.61 30.21 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 114.984 1.475 . . . . 10.0 114.984 171.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.52 -30.68 68.76 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.591 1.541 . . . . 10.0 112.086 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 121.06 -1.025 . . . . 10.0 110.703 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.419 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 4.8 t80 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.26 96.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.565 2.346 . . . . 10.0 111.672 174.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.35 -44.8 86.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.437 1.495 . . . . 10.0 112.049 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.58 92.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.631 1.973 . . . . 10.0 110.579 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.2 tp-100 -77.01 25.74 0.15 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.488 1.915 . . . . 10.0 114.11 169.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -145.28 21.86 1.53 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.236 3.014 . . . . 10.0 110.173 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -131.59 -49.2 0.97 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.874 2.47 . . . . 10.0 110.315 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.8 t -51.0 -41.22 59.62 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.829 2.052 . . . . 10.0 113.209 169.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -51.82 -25.92 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 131.028 3.731 . . . . 10.0 113.941 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -121.6 12.37 10.71 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.56 3.544 . . . . 10.0 111.618 -174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 3.5 t -115.46 -32.45 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 C-N-CA 130.299 3.44 . . . . 10.0 110.378 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 107.876 -1.157 . . . . 10.0 107.876 167.603 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.0 p90 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -61.63 -21.35 64.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.404 1.482 . . . . 10.0 114.576 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.87 -5.19 68.62 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.273 1.416 . . . . 10.0 114.483 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.81 8.83 3.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.179 2.192 . . . . 10.0 113.028 -175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.23 -42.37 73.3 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.55 1.54 . . . . 10.0 113.061 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.38 7.75 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -117.51 -53.96 2.4 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.2 1.8 . . . . 10.0 108.51 168.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.93 -37.77 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 126.603 1.961 . . . . 10.0 113.315 -172.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -84.52 -43.3 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.57 0.748 . . . . 10.0 111.386 170.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.98 72.64 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -170.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -54.84 -10.41 0.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.573 3.549 . . . . 10.0 115.674 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -134.74 -23.07 1.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.356 2.262 . . . . 10.0 113.795 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -26.11 -69.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 129.243 3.017 . . . . 10.0 117.861 -168.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -72.41 -30.59 64.78 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -169.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.796 0 O-C-N 121.582 -0.699 . . . . 10.0 111.491 176.06 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -69.22 -25.49 64.34 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 120.18 1.355 . . . . 10.0 112.798 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -84.89 -41.65 15.77 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.123 0.969 . . . . 10.0 112.856 170.115 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -59.28 -46.22 89.12 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 127.834 2.454 . . . . 10.0 111.334 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -56.22 -45.46 79.91 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.568 1.147 . . . . 10.0 109.542 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.3 -51.63 69.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 10.0 114.511 172.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.2 -37.33 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.528 1.058 . . . . 10.0 110.939 177.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 m -69.7 -28.35 65.76 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 123.974 0.909 . . . . 10.0 111.343 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.85 -28.96 44.33 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 120.798 -1.189 . . . . 10.0 111.106 173.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.38 90.77 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.636 -1.29 . . . . 10.0 109.664 167.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.01 -30.23 68.57 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.919 1.687 . . . . 10.0 113.282 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.34 -30.36 66.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 121.105 1.775 . . . . 10.0 109.317 171.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -77.17 -44.42 30.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.909 1.284 . . . . 10.0 111.581 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.82 -20.26 61.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.944 -1.097 . . . . 10.0 111.643 -175.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.51 40.25 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 125.595 1.558 . . . . 10.0 110.178 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -56.6 4.02 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.505 2.322 . . . . 10.0 115.893 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -136.52 70.91 59.8 Favored Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 126.679 1.992 . . . . 10.0 109.058 177.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.429 3.5 Cg_exo -37.38 -77.52 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.293 3.92 . . . . 10.0 122.293 -166.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -82.41 12.39 4.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.857 -1.152 . . . . 10.0 113.533 -171.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.2 108.87 1.22 Allowed Pre-proline 0 N--CA 1.47 0.547 0 N-CA-C 105.509 -2.034 . . . . 10.0 105.509 167.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.61 -23.6 36.51 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 CA-C-N 119.806 0.966 . . . . 10.0 114.487 -167.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.46 94.62 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 0.841 . . . . 10.0 112.044 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.52 -43.25 21.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 171.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -65.42 -34.36 78.11 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.694 1.134 . . . . 10.0 109.964 -179.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.42 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 119.834 1.197 . . . . 10.0 111.56 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.49 87.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.218 -0.926 . . . . 10.0 111.339 169.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' HD12 ' A' ' 34' ' ' LEU . 59.0 t80 -60.15 -55.11 37.83 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 124.049 0.94 . . . . 10.0 111.661 170.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.261 0.0 OUTLIER -66.42 -23.74 66.35 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.109 0.88 . . . . 10.0 111.209 -175.641 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t -66.41 -52.08 50.33 Favored 'General case' 0 N--CA 1.461 0.088 0 C-N-CA 125.19 1.396 . . . . 10.0 110.798 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.43 -37.37 85.03 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.838 1.255 . . . . 10.0 112.479 -177.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.6 -36.46 61.99 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.663 3.185 . . . . 10.0 110.82 168.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.17 -42.11 24.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.304 0.853 . . . . 10.0 113.304 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -58.63 -34.52 71.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.202 0.91 . . . . 10.0 112.346 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 124.658 1.183 . . . . 10.0 111.022 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 17.4 t80 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -39.67 94.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.723 2.009 . . . . 10.0 112.684 175.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.65 -43.72 88.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.616 1.566 . . . . 10.0 111.233 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.02 99.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.075 1.75 . . . . 10.0 111.175 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 tp60 -78.36 27.37 0.2 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 123.629 1.68 . . . . 10.0 113.404 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -144.87 23.22 1.56 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 129.535 3.134 . . . . 10.0 109.704 168.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -130.35 -49.58 1.09 Allowed 'General case' 0 C--N 1.343 0.298 0 C-N-CA 127.699 2.4 . . . . 10.0 110.793 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -51.06 -40.74 59.04 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.404 1.881 . . . . 10.0 113.825 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.51 -28.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 130.724 3.609 . . . . 10.0 113.477 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -115.75 13.18 16.12 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 130.263 3.425 . . . . 10.0 111.549 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 t -117.28 -35.17 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 C-N-CA 129.839 3.255 . . . . 10.0 110.434 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.566 -1.272 . . . . 10.0 107.566 166.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 116.131 1.901 . . . . 10.0 116.131 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -69.78 -23.7 63.39 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 122.065 2.212 . . . . 10.0 114.041 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 -4.28 74.37 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.791 1.186 . . . . 10.0 114.859 177.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -141.33 13.3 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.531 2.333 . . . . 10.0 112.279 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 13' ' ' SER . 58.2 tp -41.75 -55.97 2.82 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 127.761 2.424 . . . . 10.0 115.948 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.31 5.07 6.06 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -170.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.69 -31.73 4.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.417 1.487 . . . . 10.0 112.241 169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.16 -65.54 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 125.236 1.414 . . . . 10.0 110.723 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 9' ' ' LEU . 33.4 t -59.69 -34.69 73.2 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.729 1.212 . . . . 10.0 112.441 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.65 76.74 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.224 0.824 . . . . 10.0 113.224 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -14.93 33.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.97 2.108 . . . . 10.0 114.087 173.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -123.67 6.07 8.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.003 2.521 . . . . 10.0 114.073 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.34 -16.31 8.57 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 116.629 2.085 . . . . 10.0 116.629 -168.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -104.09 -20.2 13.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.11 1.364 . . . . 10.0 114.592 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 O-C-N 121.278 -0.888 . . . . 10.0 111.282 173.562 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 15.9 t70 . . . . . 0 N--CA 1.44 -0.933 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.3 -27.63 64.54 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 120.213 1.37 . . . . 10.0 111.288 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.78 -45.76 16.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.618 0.767 . . . . 10.0 112.117 169.656 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 2.6 tp-100 -57.19 -45.06 84.08 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.486 1.515 . . . . 10.0 112.003 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -58.26 -45.21 88.26 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.253 1.021 . . . . 10.0 110.07 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.37 -52.38 65.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.138 1.375 . . . . 10.0 113.833 172.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.13 -37.67 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 119.29 0.95 . . . . 10.0 111.307 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.8 m -69.14 -28.15 66.19 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.49 0.716 . . . . 10.0 111.31 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.98 -28.73 43.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.803 -1.185 . . . . 10.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.94 91.58 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.734 -1.229 . . . . 10.0 109.515 167.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.42 -30.13 68.96 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.647 1.579 . . . . 10.0 113.243 169.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -31.17 67.86 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.2 1.818 . . . . 10.0 109.203 171.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -76.12 -44.12 40.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.755 1.222 . . . . 10.0 111.504 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.31 -20.4 60.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.958 -1.089 . . . . 10.0 111.748 -174.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.47 40.55 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.678 1.591 . . . . 10.0 110.028 169.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -56.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.54 2.336 . . . . 10.0 115.984 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.28 69.02 62.41 Favored Pre-proline 0 N--CA 1.485 1.294 0 C-N-CA 126.819 2.047 . . . . 10.0 109.407 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.44 5.0 Cg_exo -36.09 -78.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.454 0 N-CA-C 122.403 3.963 . . . . 10.0 122.403 -166.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.4 p -82.1 12.17 4.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 119.882 1.219 . . . . 10.0 113.431 -170.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.93 108.66 1.15 Allowed Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 167.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.58 -23.61 36.66 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 CA-C-N 119.826 0.974 . . . . 10.0 114.363 -167.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.28 94.82 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.144 0.884 . . . . 10.0 112.067 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.3 pp -80.49 -43.78 20.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 170.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.96 -34.54 78.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.721 1.146 . . . . 10.0 109.897 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.42 53.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.72 1.145 . . . . 10.0 111.712 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.79 81.77 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.392 -0.818 . . . . 10.0 111.124 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.1 t80 -60.56 -54.85 40.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 121.211 -0.93 . . . . 10.0 111.596 170.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.759 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.3 pp0? -65.92 -25.4 67.12 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 124.075 0.859 . . . . 10.0 110.809 -176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -66.17 -48.69 69.92 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.744 1.218 . . . . 10.0 111.62 169.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -68.47 -36.52 79.09 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.726 1.21 . . . . 10.0 112.581 -178.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -54.76 -39.15 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.184 2.994 . . . . 10.0 110.079 168.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -76.29 -39.32 54.53 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 169.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.28 -35.01 76.13 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.266 1.393 . . . . 10.0 112.253 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 124.209 1.004 . . . . 10.0 109.891 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -37.42 87.19 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.04 2.536 . . . . 10.0 112.81 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.24 -43.83 77.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.677 1.591 . . . . 10.0 110.965 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.25 97.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.189 1.795 . . . . 10.0 110.695 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.52 25.49 0.25 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.97 2.108 . . . . 10.0 113.307 168.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.35 24.39 1.27 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.977 2.911 . . . . 10.0 108.94 168.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -126.1 -52.29 1.53 Allowed 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 127.973 2.509 . . . . 10.0 110.117 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -49.93 -43.04 49.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.716 2.006 . . . . 10.0 114.374 169.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.72 -30.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 130.037 3.335 . . . . 10.0 113.115 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -106.79 14.54 26.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.115 3.366 . . . . 10.0 112.437 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -116.88 -36.23 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 128.726 2.81 . . . . 10.0 110.91 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 107.448 -1.316 . . . . 10.0 107.448 166.466 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 114.775 1.398 . . . . 10.0 114.775 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -63.94 -5.78 5.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.02 21.58 5.52 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.067 1.794 . . . . 10.0 114.199 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -149.91 -35.4 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.411 1.484 . . . . 10.0 114.255 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.26 -36.21 63.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.217 2.207 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.65 -32.06 64.98 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.322 1.23 . . . . 10.0 114.322 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.42 -36.22 20.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.11 -54.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.109 1.763 . . . . 10.0 111.584 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -65.91 -34.17 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.863 1.265 . . . . 10.0 112.017 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.07 67.22 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -58.7 -37.34 75.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 10.0 112.109 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.17 -52.18 44.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.668 1.187 . . . . 10.0 109.013 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.3 -27.34 68.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.412 1.634 . . . . 10.0 115.412 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -93.65 -31.24 14.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.174 0.989 . . . . 10.0 113.554 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 O-C-N 121.18 -0.95 . . . . 10.0 111.96 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 11.6 t70 . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 113.552 0.945 . . . . 10.0 113.552 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -69.81 -28.35 65.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.04 1.291 . . . . 10.0 112.657 169.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.81 -45.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.418 0.687 . . . . 10.0 112.504 169.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 46.3 tp60 -54.6 -47.31 73.54 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.874 2.07 . . . . 10.0 111.594 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -58.36 -45.41 88.26 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.268 1.027 . . . . 10.0 109.984 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.48 -52.25 66.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.278 1.431 . . . . 10.0 114.236 171.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.93 -37.23 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.563 1.074 . . . . 10.0 111.303 178.007 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.64 -28.2 65.7 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.739 0.816 . . . . 10.0 111.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -28.76 49.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 120.872 -1.142 . . . . 10.0 111.219 174.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.0 90.36 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.61 -1.306 . . . . 10.0 109.777 167.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.08 -29.95 69.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.591 1.556 . . . . 10.0 113.32 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.97 -30.08 67.66 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.043 1.747 . . . . 10.0 109.314 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -77.6 -44.46 28.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.238 1.415 . . . . 10.0 111.423 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.16 -19.77 61.71 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 120.972 -1.08 . . . . 10.0 111.796 -175.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.43 36.66 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.961 1.705 . . . . 10.0 110.469 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -51.35 8.69 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.604 2.361 . . . . 10.0 116.1 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.6 tttt -141.42 48.18 1.17 Allowed Pre-proline 0 N--CA 1.49 1.526 0 C-N-CA 127.236 2.214 . . . . 10.0 110.058 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.575 6.8 Cg_exo -16.44 -90.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 2 N-CA-C 123.942 4.555 . . . . 10.0 123.942 -165.402 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -75.5 10.13 1.84 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.687 1.131 . . . . 10.0 113.931 -169.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.31 108.02 0.89 Allowed Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 167.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.31 -24.62 37.19 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 N-CA-C 114.679 0.992 . . . . 10.0 114.679 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.72 95.79 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.084 0.856 . . . . 10.0 112.048 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.86 19.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 170.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.92 -34.85 78.89 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 109.74 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.88 -26.91 54.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.811 -1.18 . . . . 10.0 111.974 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.14 80.59 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.504 -0.747 . . . . 10.0 111.129 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.0 t80 -59.9 -54.57 44.56 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.044 0.938 . . . . 10.0 111.627 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.9 pp0? -65.76 -24.01 66.85 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.731 0.777 . . . . 10.0 111.334 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.5 t -66.35 -50.96 61.8 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.591 1.157 . . . . 10.0 111.298 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -67.78 -36.38 80.37 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.914 1.286 . . . . 10.0 112.688 -178.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.41 -38.76 66.61 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 129.048 2.939 . . . . 10.0 110.09 168.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -76.07 -42.61 46.94 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.43 -34.52 72.6 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.169 0.895 . . . . 10.0 112.487 175.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 123.849 0.86 . . . . 10.0 110.279 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.7 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -33.89 73.07 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 127.017 2.127 . . . . 10.0 114.016 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.29 -46.14 81.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.962 1.305 . . . . 10.0 110.05 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.74 -46.8 86.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.218 1.807 . . . . 10.0 111.807 169.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HA ' HG22 ' A' ' 64' ' ' THR . 10.8 tp60 -84.23 40.93 0.8 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 124.179 1.942 . . . . 10.0 113.978 172.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 t -140.15 -41.2 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 130.411 3.485 . . . . 10.0 107.697 168.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.29 -50.62 72.95 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.801 1.64 . . . . 10.0 113.46 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.4 t -62.72 -37.91 88.38 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.283 2.233 . . . . 10.0 115.378 176.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 127.586 2.355 . . . . 10.0 109.613 174.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -70.86 4.81 2.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.29 3.036 . . . . 10.0 114.035 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.58 -35.15 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.539 2.736 . . . . 10.0 110.838 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 CA--C 1.56 1.348 0 CA-C-O 122.595 1.188 . . . . 10.0 109.146 166.041 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.438 0.903 . . . . 10.0 113.438 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -64.02 -14.9 57.68 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.776 1.398 . . . . 10.0 114.776 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 3.12 58.49 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.997 1.76 . . . . 10.0 114.503 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -135.44 -13.01 2.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.646 1.978 . . . . 10.0 113.118 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.5 tp -48.68 -46.02 39.75 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.253 2.221 . . . . 10.0 113.187 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -75.56 21.16 0.15 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.923 1.289 . . . . 10.0 114.11 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -131.21 -40.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.894 2.077 . . . . 10.0 110.266 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.09 -50.84 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.711 1.604 . . . . 10.0 112.799 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -78.98 -38.27 37.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 124.854 1.262 . . . . 10.0 111.335 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.35 65.24 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -50.92 -38.23 48.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.918 0.887 . . . . 10.0 111.427 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -58.79 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.863 1.265 . . . . 10.0 111.185 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.23 -22.6 66.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -169.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.28 -32.51 11.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.394 1.078 . . . . 10.0 112.916 171.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 121.046 -1.034 . . . . 10.0 111.962 175.65 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 113.379 0.881 . . . . 10.0 113.379 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -67.75 -26.66 66.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 120.378 1.445 . . . . 10.0 110.816 168.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.27 -46.08 16.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 170.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -56.22 -47.25 78.79 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.506 1.923 . . . . 10.0 111.905 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -58.66 -45.02 90.26 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.647 1.179 . . . . 10.0 109.939 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.56 -52.1 66.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.986 1.314 . . . . 10.0 113.816 172.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.1 -38.25 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 119.144 0.884 . . . . 10.0 110.977 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -68.17 -27.33 66.32 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.472 0.709 . . . . 10.0 111.216 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.65 -29.21 40.86 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.003 -1.06 . . . . 10.0 111.328 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.95 95.29 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.649 -1.282 . . . . 10.0 109.179 167.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.16 -29.57 68.48 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.449 1.5 . . . . 10.0 113.3 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.09 -32.43 69.81 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.488 1.949 . . . . 10.0 109.145 171.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -74.0 -44.6 54.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.467 1.107 . . . . 10.0 111.263 169.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.37 -19.77 61.57 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.038 -1.039 . . . . 10.0 111.878 -174.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.62 -23.2 37.17 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.762 1.625 . . . . 10.0 110.344 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.88 8.12 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.792 2.437 . . . . 10.0 116.244 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 65.0 tttt -140.93 48.32 1.28 Allowed Pre-proline 0 N--CA 1.49 1.56 0 C-N-CA 127.151 2.18 . . . . 10.0 110.007 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.9 Cg_exo -15.89 -90.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 2 N-CA-C 123.934 4.552 . . . . 10.0 123.934 -165.56 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.59 10.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.726 1.148 . . . . 10.0 113.937 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.8 107.59 0.79 Allowed Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.09 -23.49 46.03 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 115.819 1.431 . . . . 10.0 115.819 -166.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.98 75.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.895 0.771 . . . . 10.0 112.293 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.14 -41.97 24.39 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.032 0.833 . . . . 10.0 112.978 170.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.96 -44.91 94.76 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 117.755 -1.117 . . . . 10.0 108.616 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.55 -19.83 60.79 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.173 2.26 . . . . 10.0 112.45 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.55 78.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.241 0.928 . . . . 10.0 109.868 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.99 -51.51 68.95 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 121.371 -0.831 . . . . 10.0 109.747 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HA ' HD13 ' A' ' 51' ' ' LEU . 15.1 mm100 -55.12 -32.05 61.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.388 1.075 . . . . 10.0 112.276 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.23 -47.25 36.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.298 1.039 . . . . 10.0 112.544 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 124.099 0.959 . . . . 10.0 112.028 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.61 -42.0 67.26 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 129.063 2.945 . . . . 10.0 109.596 168.325 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.4 m -73.03 -43.94 61.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.899 0.88 . . . . 10.0 112.916 172.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.06 -33.45 73.34 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.328 0.967 . . . . 10.0 112.578 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.388 0 O-C-N 120.997 -1.064 . . . . 10.0 109.779 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 20.4 t80 . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.66 73.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.487 2.315 . . . . 10.0 114.101 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -65.72 -42.68 90.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.529 1.531 . . . . 10.0 110.75 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' HG22 ' A' ' 64' ' ' THR . . . -64.55 -43.11 94.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.379 1.471 . . . . 10.0 111.144 169.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.48 41.58 0.63 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 124.237 1.97 . . . . 10.0 114.091 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t -141.09 -41.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 130.636 3.574 . . . . 10.0 107.743 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.77 -45.81 92.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.931 1.692 . . . . 10.0 114.609 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -68.77 -36.31 78.15 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.817 2.047 . . . . 10.0 115.274 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.3 t -59.77 -45.69 94.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 127.341 2.256 . . . . 10.0 109.421 172.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -68.78 3.73 1.79 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.001 2.92 . . . . 10.0 114.265 169.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 t -116.31 -35.8 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 128.841 2.856 . . . . 10.0 111.619 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 106.825 -1.546 . . . . 10.0 106.825 166.474 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 m0 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -50.16 -22.93 1.88 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.896 2.184 . . . . 10.0 116.896 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.1 -1.43 90.33 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 124.891 1.234 . . . . 10.0 115.393 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.89 -31.15 0.56 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.749 2.02 . . . . 10.0 113.52 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.2 tp -42.52 -48.83 5.38 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 128.699 2.8 . . . . 10.0 113.683 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.25 14.2 0.47 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.19 1.396 . . . . 10.0 114.313 -170.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -139.34 6.88 2.35 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.416 1.486 . . . . 10.0 113.037 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -116.36 -56.25 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 127.094 2.158 . . . . 10.0 110.086 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.9 t -72.02 -44.61 63.13 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.255 1.422 . . . . 10.0 111.828 171.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.05 70.46 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.138 -0.976 . . . . 10.0 112.764 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -63.81 -18.92 64.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.823 2.049 . . . . 10.0 113.214 169.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.95 -23.32 13.36 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.618 1.967 . . . . 10.0 114.766 175.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -40.48 -46.13 2.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 118.42 2.748 . . . . 10.0 118.42 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -86.72 -31.42 20.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.53 0.937 . . . . 10.0 113.53 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.831 0 O-C-N 121.329 -0.857 . . . . 10.0 111.375 177.368 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 113.758 1.022 . . . . 10.0 113.758 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.42 -27.2 65.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 120.25 1.386 . . . . 10.0 112.029 169.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.9 -43.86 19.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.789 0.836 . . . . 10.0 112.755 169.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -58.32 -46.6 85.87 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 126.799 2.04 . . . . 10.0 111.615 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.74 -46.39 81.4 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.624 1.17 . . . . 10.0 109.596 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -57.53 -51.74 68.24 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.175 1.39 . . . . 10.0 114.52 172.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.06 -38.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 119.511 1.05 . . . . 10.0 111.132 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 m -67.57 -27.76 67.21 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.545 0.738 . . . . 10.0 111.035 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.47 -28.0 46.4 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.846 -1.159 . . . . 10.0 111.392 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.72 89.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.46 -1.4 . . . . 10.0 109.27 167.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.24 -29.89 69.65 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.42 1.488 . . . . 10.0 113.387 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.83 -31.68 68.7 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.19 1.813 . . . . 10.0 109.277 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -75.74 -44.19 42.99 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.947 1.299 . . . . 10.0 111.25 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -20.04 61.47 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 122.285 1.041 . . . . 10.0 111.795 -175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.88 -23.09 39.26 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.829 1.652 . . . . 10.0 110.445 169.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.03 -53.27 6.56 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.827 2.451 . . . . 10.0 116.322 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' HD21 ' A' ' 43' ' ' LEU . 17.3 ttmm -139.75 49.31 1.89 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 127.442 2.297 . . . . 10.0 109.565 -175.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -17.14 -90.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 2 N-CA-C 123.813 4.505 . . . . 10.0 123.813 -165.61 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.1 p -75.99 10.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.608 1.094 . . . . 10.0 113.763 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -49.07 106.5 0.63 Allowed Pre-proline 0 C--N 1.348 0.526 0 N-CA-C 106.012 -1.847 . . . . 10.0 106.012 167.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -65.79 -24.17 54.7 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 N-CA-C 115.975 1.49 . . . . 10.0 115.975 -166.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.19 -40.13 78.27 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.87 0.759 . . . . 10.0 112.555 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.26 -42.37 23.3 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 10.0 113.019 170.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.78 -44.25 96.68 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 117.732 -1.128 . . . . 10.0 108.589 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.64 -19.81 60.75 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 122.217 2.281 . . . . 10.0 112.585 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.57 76.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.315 0.962 . . . . 10.0 109.776 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.92 -51.94 66.08 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.631 0.772 . . . . 10.0 109.506 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.5 mm100 -54.31 -31.34 53.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.533 1.133 . . . . 10.0 112.43 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.5 -50.01 19.87 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.245 1.018 . . . . 10.0 112.563 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.47 -34.73 77.77 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.915 0.886 . . . . 10.0 112.099 -179.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.43 -41.51 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 129.036 2.934 . . . . 10.0 110.072 168.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 m -74.68 -42.87 57.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -59.85 -35.42 74.72 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.184 0.902 . . . . 10.0 112.592 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 124.246 1.018 . . . . 10.0 110.431 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.6 t80 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -33.49 71.25 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 127.651 2.38 . . . . 10.0 114.426 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -65.72 -44.12 87.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.415 1.486 . . . . 10.0 110.096 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.46 86.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.995 1.718 . . . . 10.0 111.579 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.0 tp60 -82.51 38.72 0.57 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.742 1.734 . . . . 10.0 114.071 169.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.2 t -139.32 -36.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 130.314 3.446 . . . . 10.0 108.537 168.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.87 -53.06 60.97 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.542 1.537 . . . . 10.0 113.378 173.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 61' ' ' GLN . 11.1 t -59.82 -36.8 77.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.854 2.062 . . . . 10.0 114.896 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -61.62 -47.82 91.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 127.656 2.382 . . . . 10.0 109.783 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -69.47 5.12 1.46 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 128.046 2.538 . . . . 10.0 114.038 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.64 -35.97 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 128.429 2.691 . . . . 10.0 111.526 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 106.79 -1.559 . . . . 10.0 106.79 166.552 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 114.263 1.209 . . . . 10.0 114.263 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -56.68 -20.86 23.82 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.61 1.707 . . . . 10.0 115.61 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.53 0.5 68.08 Favored Glycine 0 CA--C 1.542 1.739 0 C-N-CA 125.127 1.346 . . . . 10.0 115.259 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -138.88 -12.74 1.26 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.242 2.217 . . . . 10.0 114.212 -169.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.84 -53.13 27.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.555 2.342 . . . . 10.0 114.604 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.48 16.49 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -169.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -130.89 -35.75 1.4 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.961 1.704 . . . . 10.0 111.823 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.83 -50.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 126.391 1.876 . . . . 10.0 112.4 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -78.88 -39.08 36.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 125.477 1.511 . . . . 10.0 111.952 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -29.93 71.11 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.133 -0.979 . . . . 10.0 112.836 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.65 -16.83 52.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.895 2.478 . . . . 10.0 113.697 169.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -22.93 9.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.144 2.178 . . . . 10.0 114.5 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -38.66 -62.17 0.64 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.826 2.45 . . . . 10.0 116.874 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -72.83 -28.27 62.44 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.308 -0.87 . . . . 10.0 113.153 -169.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 C-N-CA 123.751 0.691 . . . . 10.0 111.773 177.433 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.444 -0.727 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.83 -24.86 63.52 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.452 1.478 . . . . 10.0 113.634 169.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -87.88 -47.22 8.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 113.103 173.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -54.44 -46.8 73.34 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 126.788 2.035 . . . . 10.0 111.82 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -53.95 -45.29 71.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.886 1.675 . . . . 10.0 110.078 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -60.58 -52.51 64.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.516 1.526 . . . . 10.0 114.639 173.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.9 -36.8 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 119.56 1.073 . . . . 10.0 111.004 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -71.2 -28.02 63.92 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.372 1.069 . . . . 10.0 111.162 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.77 -29.24 44.97 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 121.005 -1.059 . . . . 10.0 111.006 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.77 92.18 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.645 -1.285 . . . . 10.0 109.644 167.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.08 -29.95 68.16 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.863 1.665 . . . . 10.0 113.19 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.47 -31.7 68.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.362 1.892 . . . . 10.0 109.104 171.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.51 -44.48 43.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.632 1.173 . . . . 10.0 111.55 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.11 -20.09 61.01 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.934 -1.104 . . . . 10.0 111.687 -174.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 -23.92 39.52 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.717 1.607 . . . . 10.0 110.06 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -55.74 4.6 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.437 2.295 . . . . 10.0 115.933 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.85 68.33 57.98 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 126.766 2.027 . . . . 10.0 109.484 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.445 4.2 Cg_exo -35.09 -79.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.489 3.996 . . . . 10.0 122.489 -166.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -82.0 12.45 4.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.876 1.216 . . . . 10.0 113.423 -170.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -52.82 108.87 1.2 Allowed Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 105.588 -2.004 . . . . 10.0 105.588 167.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.48 -23.76 37.08 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 CA-C-N 119.804 0.966 . . . . 10.0 114.479 -167.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.62 95.29 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.012 0.824 . . . . 10.0 112.081 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.51 -43.53 20.63 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.087 1.143 . . . . 10.0 114.087 171.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.89 -33.98 77.3 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.627 1.103 . . . . 10.0 109.923 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.05 -28.05 54.6 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 119.89 1.223 . . . . 10.0 111.83 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.14 81.72 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.391 -0.818 . . . . 10.0 111.333 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.7 t80 -60.72 -55.33 34.5 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 123.843 0.857 . . . . 10.0 111.497 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.772 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.7 pp0? -66.18 -24.2 66.59 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.864 0.84 . . . . 10.0 111.287 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -67.1 -50.99 59.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.913 1.285 . . . . 10.0 111.378 169.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.2 -36.53 81.93 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.464 1.106 . . . . 10.0 112.586 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.772 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.09 -36.74 63.51 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.487 3.115 . . . . 10.0 110.577 168.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -78.13 -42.92 30.33 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 10.0 112.873 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.01 -32.74 69.98 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.099 0.863 . . . . 10.0 112.615 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 C-N-CA 124.477 1.111 . . . . 10.0 111.21 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.2 t80 . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 107.854 -1.165 . . . . 10.0 107.854 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -40.3 95.1 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.827 2.451 . . . . 10.0 112.896 175.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.83 -46.02 76.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.519 1.528 . . . . 10.0 111.6 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.9 89.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.812 1.645 . . . . 10.0 111.183 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.2 tp-100 -78.66 30.97 0.19 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.296 1.838 . . . . 10.0 114.5 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.1 t -143.43 13.63 1.78 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.584 3.153 . . . . 10.0 110.577 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -125.01 -48.18 1.76 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.11 2.564 . . . . 10.0 111.183 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' GLN . 15.2 t -56.53 -33.88 66.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 123.889 1.804 . . . . 10.0 113.576 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.7 t -55.1 -37.61 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 129.251 3.02 . . . . 10.0 112.033 171.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -91.61 9.27 32.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.303 3.041 . . . . 10.0 112.912 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.7 t -117.08 -35.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 128.897 2.879 . . . . 10.0 111.37 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.647 -1.242 . . . . 10.0 107.647 166.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.031 0.443 . . . . 10.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -152.27 -36.01 0.12 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.233 1.413 . . . . 10.0 112.544 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.96 26.66 18.54 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.835 1.684 . . . . 10.0 113.902 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -146.06 -56.93 0.29 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.54 . . . . 10.0 112.266 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.48 -32.67 67.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.581 1.952 . . . . 10.0 112.924 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.69 3.17 1.51 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -123.06 2.03 9.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.014 1.726 . . . . 10.0 112.847 170.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.84 -49.4 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 127.801 2.44 . . . . 10.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -73.29 -39.15 65.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 123.698 0.799 . . . . 10.0 111.351 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.56 66.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.907 -1.121 . . . . 10.0 113.737 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.08 -45.92 75.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.251 1.42 . . . . 10.0 110.677 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -51.02 67.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.086 0.954 . . . . 10.0 110.554 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.79 -25.17 66.36 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -170.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -95.15 -27.1 15.73 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.835 1.05 . . . . 10.0 113.835 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.989 0 CA-C-N 118.892 0.769 . . . . 10.0 111.971 175.533 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 113.906 1.076 . . . . 10.0 113.906 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -70.32 -27.74 64.62 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.407 1.458 . . . . 10.0 112.023 168.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.77 -44.84 17.96 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.509 0.724 . . . . 10.0 112.212 169.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -56.86 -46.44 81.79 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 126.55 1.94 . . . . 10.0 111.902 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -57.63 -45.99 84.73 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.166 0.987 . . . . 10.0 109.852 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.72 -51.13 71.26 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.238 1.415 . . . . 10.0 114.338 173.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.33 -38.46 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.296 0.953 . . . . 10.0 110.581 176.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.9 m -68.51 -27.54 66.21 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.598 -0.689 . . . . 10.0 111.323 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 -30.17 45.14 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.798 -1.189 . . . . 10.0 111.242 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.11 95.65 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.629 -1.294 . . . . 10.0 109.152 167.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.18 -30.26 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.548 1.539 . . . . 10.0 113.573 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -31.76 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 120.892 1.678 . . . . 10.0 109.307 172.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -75.82 -44.06 43.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.44 1.096 . . . . 10.0 110.714 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.5 -19.76 60.84 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.696 -1.252 . . . . 10.0 112.153 -172.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.54 -20.12 44.19 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 126.051 1.74 . . . . 10.0 110.195 169.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.72 -53.63 5.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.27 2.228 . . . . 10.0 115.614 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' HD21 ' A' ' 43' ' ' LEU . 61.3 tttt -141.35 48.03 1.15 Allowed Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 126.205 1.802 . . . . 10.0 111.104 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HB3' HD23 ' A' ' 34' ' ' LEU 0.446 2.9 Cg_exo -19.06 -93.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.516 -0.395 1 C-N-CA 126.81 5.007 . . . . 10.0 121.865 -166.85 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.327 15.1 p -75.09 26.36 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 121.223 1.829 . . . . 10.0 114.586 -173.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.98 92.82 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.177 1 N-CA-C 96.638 -5.319 . . . . 10.0 96.638 162.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.723 ' HA ' HD22 ' A' ' 44' ' ' LEU . 88.9 Cg_endo -67.06 -5.23 13.09 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 120.842 1.028 . . . . 10.0 113.716 -165.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.66 -51.84 8.74 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.63 1.172 . . . . 10.0 111.176 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.3 pp -67.98 -41.22 82.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.808 1.185 . . . . 10.0 109.838 168.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' ' 45' ' ' ALA 0.359 0.2 OUTLIER -60.22 -46.15 90.76 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.104 -1.427 . . . . 10.0 107.91 178.505 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.859 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.3 -18.8 57.23 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 123.582 2.901 . . . . 10.0 109.286 -167.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.24 82.34 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 167.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 35.8 t80 -64.61 -54.35 33.32 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.147 -0.97 . . . . 10.0 109.981 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 51' ' ' LEU . 25.9 mm100 -55.15 -26.2 37.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.02 1.328 . . . . 10.0 111.599 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -77.65 -54.15 6.71 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.237 2.215 . . . . 10.0 112.826 171.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.32 -35.34 80.06 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.531 1.132 . . . . 10.0 112.384 -178.105 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -52.52 -42.77 64.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 130.287 3.435 . . . . 10.0 110.651 168.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -77.09 -42.04 39.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.969 0.907 . . . . 10.0 112.86 172.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.33 -31.75 69.46 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.67 0.788 . . . . 10.0 112.069 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 124.451 1.101 . . . . 10.0 110.611 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.3 t80 . . . . . 0 CA--C 1.544 0.75 0 N-CA-C 107.966 -1.124 . . . . 10.0 107.966 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.9 92.04 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.189 2.195 . . . . 10.0 111.783 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -65.96 -45.93 79.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.491 1.516 . . . . 10.0 111.635 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.34 90.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.851 1.66 . . . . 10.0 110.744 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.7 tp60 -75.66 24.01 0.12 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.258 1.823 . . . . 10.0 115.054 169.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -141.09 12.26 2.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.46 2.704 . . . . 10.0 110.938 168.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -122.08 -49.07 2.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 127.942 2.497 . . . . 10.0 110.232 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -49.34 -41.97 40.35 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.766 2.027 . . . . 10.0 112.786 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.77 -25.37 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 131.045 3.738 . . . . 10.0 113.851 172.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -119.77 12.04 12.06 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.712 3.605 . . . . 10.0 112.157 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 5.3 t -110.01 -27.98 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 129.302 3.041 . . . . 10.0 109.859 172.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 124.192 1.948 . . . . 10.0 109.888 167.339 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 115.345 1.609 . . . . 10.0 115.345 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -56.63 -26.89 57.17 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.026 1.739 . . . . 10.0 113.423 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 1.8 44.87 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 116.286 1.274 . . . . 10.0 116.286 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -148.08 -53.63 0.2 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.516 1.658 . . . . 10.0 113.921 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.34 -35.56 70.07 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.294 1.838 . . . . 10.0 112.533 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.6 3.51 1.36 Allowed 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.51 5.04 6.85 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.162 1.785 . . . . 10.0 112.788 170.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.84 -41.72 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 128.098 2.559 . . . . 10.0 111.812 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -80.75 -43.5 20.11 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.493 1.117 . . . . 10.0 111.016 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.9 66.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -49.34 -48.74 46.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.337 1.855 . . . . 10.0 110.913 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -53.12 42.16 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.345 1.058 . . . . 10.0 111.203 169.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.1 -25.08 66.71 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.701 1.741 . . . . 10.0 115.701 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -95.4 -33.62 12.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.045 0.938 . . . . 10.0 113.483 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 120.937 -1.102 . . . . 10.0 111.809 175.354 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.45 -27.1 64.95 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.096 1.316 . . . . 10.0 111.596 168.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.53 -45.45 17.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.174 0.59 . . . . 10.0 112.232 169.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -56.46 -47.15 79.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 126.551 1.94 . . . . 10.0 112.047 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -57.29 -46.06 83.5 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.434 1.094 . . . . 10.0 109.843 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.67 -51.5 69.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.446 1.498 . . . . 10.0 114.273 173.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.08 -38.77 83.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 119.336 0.971 . . . . 10.0 110.546 176.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -68.7 -27.26 65.8 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.466 -0.772 . . . . 10.0 111.401 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.94 -30.28 44.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.708 -1.245 . . . . 10.0 111.096 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.09 95.95 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.64 -1.288 . . . . 10.0 109.134 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.11 -31.0 71.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.793 1.637 . . . . 10.0 113.697 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -31.31 69.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.778 1.626 . . . . 10.0 109.427 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.4 mmtt -75.98 -41.98 49.69 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.328 1.051 . . . . 10.0 110.985 169.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -71.13 -39.62 71.89 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 120.33 -1.481 . . . . 10.0 110.711 -171.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.1 44.18 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.573 1.549 . . . . 10.0 111.244 169.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -81.96 -59.86 2.43 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.083 2.153 . . . . 10.0 115.774 169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.8 tmtt? -136.15 77.96 47.5 Favored Pre-proline 0 N--CA 1.488 1.441 0 C-N-CA 126.17 1.788 . . . . 10.0 108.951 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HB3' HD23 ' A' ' 34' ' ' LEU . 10.1 Cg_endo -63.06 -20.19 70.78 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 121.369 3.565 . . . . 10.0 121.369 -166.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.33 85.4 p -126.8 49.96 2.0 Allowed 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 125.095 2.379 . . . . 10.0 113.139 169.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.05 83.43 0.23 Allowed Pre-proline 0 N--CA 1.441 -0.885 1 N-CA-C 92.927 -6.694 . . . . 10.0 92.927 162.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HA ' HD22 ' A' ' 44' ' ' LEU . 74.4 Cg_endo -62.38 -4.44 5.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 121.494 1.463 . . . . 10.0 112.814 -167.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.14 5.79 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.81 1.644 . . . . 10.0 111.831 170.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.2 pp -64.41 -41.5 96.59 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.906 1.685 . . . . 10.0 109.433 168.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 45' ' ' ALA 0.397 0.2 OUTLIER -61.71 -45.48 93.78 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.188 -1.386 . . . . 10.0 108.26 179.722 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.837 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.08 -18.71 57.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 123.626 2.921 . . . . 10.0 108.842 -168.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.65 82.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 167.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 39.4 t80 -64.6 -54.2 35.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 121.172 -0.955 . . . . 10.0 109.792 168.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HA ' HD13 ' A' ' 51' ' ' LEU . 21.9 mm100 -55.31 -24.43 28.77 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.955 1.302 . . . . 10.0 111.572 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -79.79 -53.46 6.77 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 127.82 2.448 . . . . 10.0 113.028 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.9 -34.15 77.32 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.623 1.169 . . . . 10.0 112.477 -178.433 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -53.0 -44.37 67.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 130.328 3.451 . . . . 10.0 110.391 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.4 m -75.47 -41.4 55.7 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.55 -33.51 71.5 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.255 0.934 . . . . 10.0 112.156 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 C-N-CA 124.358 1.063 . . . . 10.0 110.389 175.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.437 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 10.5 t80 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.835 -1.172 . . . . 10.0 107.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -39.66 92.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.601 2.361 . . . . 10.0 112.722 174.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.55 -43.42 80.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.255 1.422 . . . . 10.0 111.435 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.61 -40.49 95.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.818 1.647 . . . . 10.0 110.795 171.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.86 25.48 0.15 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.505 2.322 . . . . 10.0 113.362 168.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -147.52 23.58 1.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 129.02 2.928 . . . . 10.0 109.578 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.63 -51.27 1.26 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.777 2.431 . . . . 10.0 110.049 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 60' ' ' ALA . 12.0 t -49.15 -44.41 42.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.686 1.995 . . . . 10.0 113.772 169.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.25 -26.82 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 130.64 3.576 . . . . 10.0 113.852 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.41 14.85 13.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 130.584 3.554 . . . . 10.0 111.988 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.82 -32.5 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 C-N-CA 129.693 3.197 . . . . 10.0 110.06 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 CA--C 1.556 1.196 0 N-CA-C 107.184 -1.413 . . . . 10.0 107.184 166.12 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.12 160.71 43.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.205 1.479 . . . . 10.0 113.204 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.6 p -82.16 148.03 58.87 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 112.405 -2.179 . . . . 10.0 109.383 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 17.1 Cg_exo -64.9 135.46 44.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 120.7 0.933 . . . . 10.0 113.509 -172.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -57.76 -28.07 63.62 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -62.62 -20.37 64.7 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.363 1.245 . . . . 10.0 114.363 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.07 -7.14 74.24 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.711 1.148 . . . . 10.0 114.469 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -138.91 15.39 2.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.291 2.237 . . . . 10.0 112.586 -171.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -53.95 -44.33 70.6 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.944 1.697 . . . . 10.0 113.0 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -75.11 19.31 0.16 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.334 1.054 . . . . 10.0 113.829 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.35 -41.37 1.24 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.276 2.23 . . . . 10.0 110.617 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.79 -50.75 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 126.051 1.74 . . . . 10.0 112.516 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.2 t -74.89 -37.79 62.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.882 0.873 . . . . 10.0 110.653 169.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -14.81 27.31 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.782 1.03 . . . . 10.0 113.782 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.03 -33.7 39.82 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.948 1.299 . . . . 10.0 112.253 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -39.2 85.74 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.81 1.644 . . . . 10.0 111.885 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.88 -15.75 63.22 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -169.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -106.02 -27.37 11.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.111 1.364 . . . . 10.0 113.688 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.17 -40.39 50.27 Favored Glycine 0 N--CA 1.472 1.036 0 O-C-N 120.884 -1.135 . . . . 10.0 112.23 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 p -57.32 -38.02 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 C-N-CA 124.449 1.1 . . . . 10.0 111.893 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.65 -21.6 63.53 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -69.91 -27.33 64.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.125 1.33 . . . . 10.0 111.433 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -43.98 18.87 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.857 0.863 . . . . 10.0 112.551 169.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.11 -47.1 84.29 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.937 1.695 . . . . 10.0 111.83 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -56.75 -44.79 82.07 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.454 1.102 . . . . 10.0 109.663 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.95 -52.08 67.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.114 1.366 . . . . 10.0 114.488 173.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -63.55 -37.75 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 119.461 1.028 . . . . 10.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 m -69.65 -27.87 65.41 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 123.763 0.825 . . . . 10.0 111.504 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.75 -29.59 40.57 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.696 -1.253 . . . . 10.0 111.019 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.13 93.55 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.702 -1.249 . . . . 10.0 109.414 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.69 -30.09 68.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.654 1.582 . . . . 10.0 113.312 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.37 -31.7 67.89 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 121.353 1.888 . . . . 10.0 109.367 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -75.22 -44.42 46.37 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.642 1.177 . . . . 10.0 111.381 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.11 -19.73 61.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.041 -1.037 . . . . 10.0 111.792 -175.378 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.82 -23.14 36.66 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 125.762 1.625 . . . . 10.0 110.526 169.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.8 -52.41 7.53 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.775 2.43 . . . . 10.0 116.222 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 42.7 tttp -139.79 48.03 1.44 Allowed Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.412 2.285 . . . . 10.0 109.93 -176.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.571 7.1 Cg_exo -16.03 -91.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 2 N-CA-C 123.912 4.543 . . . . 10.0 123.912 -165.542 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.2 p -74.91 9.47 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.038 1.125 . . . . 10.0 114.038 -169.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -48.47 107.24 0.72 Allowed Pre-proline 0 C--N 1.347 0.49 0 N-CA-C 106.292 -1.744 . . . . 10.0 106.292 167.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.57 -24.29 42.13 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 N-CA-C 114.706 1.002 . . . . 10.0 114.706 -167.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.68 95.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.036 0.834 . . . . 10.0 112.058 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.59 20.37 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.158 1.17 . . . . 10.0 114.158 170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -35.0 79.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.754 1.161 . . . . 10.0 109.698 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.9 -26.86 54.63 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 120.788 -1.195 . . . . 10.0 111.918 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.99 -36.68 80.42 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.612 -0.68 . . . . 10.0 111.092 169.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.7 t80 -60.03 -54.99 39.47 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.205 1.002 . . . . 10.0 111.65 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.5 pp0? -65.96 -24.33 66.78 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.768 0.794 . . . . 10.0 111.241 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -65.91 -52.0 53.73 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.617 1.167 . . . . 10.0 110.851 169.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.1 -37.1 84.93 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.887 1.275 . . . . 10.0 112.617 -177.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.2 -38.42 62.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.432 3.093 . . . . 10.0 110.889 168.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -79.66 -40.81 28.28 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.889 0.876 . . . . 10.0 113.229 170.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.64 -32.75 69.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.125 0.875 . . . . 10.0 112.15 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -37.78 79.49 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.477 1.111 . . . . 10.0 110.788 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -27.23 64.75 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 121.452 -0.78 . . . . 10.0 111.913 169.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.94 -34.65 69.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.488 1.515 . . . . 10.0 111.457 169.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 5.9 t80 -57.42 -43.08 83.53 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.09 90.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.022 2.129 . . . . 10.0 112.552 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.19 -43.47 78.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.424 1.49 . . . . 10.0 111.95 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.36 -37.28 82.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.733 1.613 . . . . 10.0 111.045 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.02 22.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.581 2.353 . . . . 10.0 113.78 169.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 t -142.29 16.73 2.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.102 2.561 . . . . 10.0 110.303 168.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -122.88 -50.39 1.95 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 128.048 2.539 . . . . 10.0 110.321 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.9 t -49.33 -43.49 43.69 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.609 1.963 . . . . 10.0 113.263 169.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.7 t -54.35 -25.64 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 130.803 3.641 . . . . 10.0 113.846 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -116.18 11.79 15.29 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 130.539 3.536 . . . . 10.0 112.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.78 -33.05 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 129.187 2.995 . . . . 10.0 110.824 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -58.19 -31.43 67.3 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 167.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -55.98 -36.65 68.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.639 2.775 . . . . 10.0 112.091 167.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.13 -32.01 44.32 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.952 1.701 . . . . 10.0 112.625 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.28 -44.76 94.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 107.766 -1.198 . . . . 10.0 107.766 168.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.5 -28.71 69.39 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.096 -1.003 . . . . 10.0 113.526 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.19 67.32 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.913 -1.117 . . . . 10.0 111.049 168.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.8 86.01 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.465 -1.397 . . . . 10.0 111.752 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -40.91 83.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 126.722 2.009 . . . . 10.0 110.085 169.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.35 -46.92 87.31 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.704 1.602 . . . . 10.0 111.559 173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.77 -34.23 77.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.154 0.982 . . . . 10.0 112.911 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.39 -35.6 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.063 0.945 . . . . 10.0 112.061 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.02 -38.15 89.97 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.674 -0.641 . . . . 10.0 112.187 172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.5 -39.36 81.29 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.41 -0.807 . . . . 10.0 112.276 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -63.4 -14.02 45.9 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.634 1.573 . . . . 10.0 114.03 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -63.39 -21.21 66.15 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.558 1.143 . . . . 10.0 113.602 171.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.989 1.716 . . . . 10.0 113.388 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 111.138 0.051 . . . . 10.0 111.138 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.49 162.28 35.53 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 123.804 1.764 . . . . 10.0 113.771 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -83.21 166.66 33.84 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-N 111.316 -2.675 . . . . 10.0 105.639 165.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -52.79 -2.68 0.1 OUTLIER 'Trans proline' 0 CA--C 1.546 1.089 0 N-CA-C 121.253 3.52 . . . . 10.0 121.253 -169.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 -57.15 -21.91 36.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.836 1.653 . . . . 10.0 113.186 168.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -56.92 -22.6 38.83 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 171.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.52 -3.2 75.16 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.19 1.376 . . . . 10.0 114.819 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.94 7.05 2.69 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.931 2.092 . . . . 10.0 113.204 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 13' ' ' SER . 61.8 tp -53.48 -48.17 69.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.339 1.455 . . . . 10.0 113.492 -169.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 19.78 0.23 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.22 1.192 . . . . 10.0 114.22 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -130.69 -45.1 1.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.996 2.118 . . . . 10.0 110.2 169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.54 -48.99 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 126.274 1.829 . . . . 10.0 112.617 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 9' ' ' LEU . 29.3 t -73.89 -48.18 32.74 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.123 169.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -21.84 14.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -50.28 -27.69 6.53 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.731 1.612 . . . . 10.0 113.622 169.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' HG21 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -70.48 -19.64 62.93 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.4 3.08 . . . . 10.0 116.71 -178.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.67 -28.96 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 119.765 3.246 . . . . 10.0 119.765 -167.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -101.23 -21.95 14.77 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.243 1.383 . . . . 10.0 114.433 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.46 -39.45 6.32 Favored Glycine 0 N--CA 1.472 1.069 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -54.71 -37.51 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 123.854 0.862 . . . . 10.0 110.514 169.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.24 -22.91 65.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 113.743 1.016 . . . . 10.0 113.743 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -70.58 -27.04 63.82 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.083 1.31 . . . . 10.0 112.128 169.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -82.18 -44.01 16.95 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.825 0.85 . . . . 10.0 112.322 169.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -57.56 -46.48 83.88 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 126.578 1.951 . . . . 10.0 111.767 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.68 -45.85 81.49 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.478 1.111 . . . . 10.0 109.808 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.88 -51.82 68.39 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.222 1.409 . . . . 10.0 114.453 173.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.29 -37.8 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 119.475 1.034 . . . . 10.0 111.042 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -68.45 -27.4 66.14 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 123.438 0.695 . . . . 10.0 111.34 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.67 -29.17 40.79 Favored 'General case' 0 N--CA 1.442 -0.84 0 O-C-N 120.822 -1.174 . . . . 10.0 111.368 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.79 94.78 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.69 -1.256 . . . . 10.0 109.161 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.93 -29.85 69.02 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.508 1.523 . . . . 10.0 113.225 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.12 -31.87 69.33 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.396 1.907 . . . . 10.0 109.231 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -74.74 -44.58 49.11 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.728 1.211 . . . . 10.0 111.228 169.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.25 -19.74 61.65 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 122.227 1.013 . . . . 10.0 111.828 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.58 36.62 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.869 1.667 . . . . 10.0 110.435 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -52.92 6.94 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.772 2.429 . . . . 10.0 116.12 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.5 tttt -140.05 48.3 1.46 Allowed Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 127.304 2.242 . . . . 10.0 110.041 -176.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.572 7.1 Cg_exo -16.0 -90.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 2 N-CA-C 123.843 4.517 . . . . 10.0 123.843 -165.53 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.84 10.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.985 1.106 . . . . 10.0 113.985 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.79 107.42 0.76 Allowed Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.646 -1.983 . . . . 10.0 105.646 167.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.13 -22.93 46.46 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 N-CA-C 115.785 1.417 . . . . 10.0 115.785 -166.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.18 74.1 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.871 0.76 . . . . 10.0 112.282 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.15 -41.95 24.39 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.119 0.872 . . . . 10.0 113.113 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.98 -44.57 95.66 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 117.746 -1.121 . . . . 10.0 108.543 179.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.82 60.52 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 122.198 2.272 . . . . 10.0 112.451 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.82 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.365 0.984 . . . . 10.0 109.636 168.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -61.34 -51.03 70.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 123.897 0.879 . . . . 10.0 110.014 168.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' HA ' HD13 ' A' ' 51' ' ' LEU . 13.3 mm100 -55.19 -31.4 61.37 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.357 1.063 . . . . 10.0 112.052 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -72.79 -50.91 21.29 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.318 1.047 . . . . 10.0 111.966 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -65.77 -35.65 81.32 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 124.312 1.045 . . . . 10.0 112.33 -177.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -54.19 -38.05 65.2 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.536 3.134 . . . . 10.0 111.048 168.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m -80.07 -41.12 26.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.69 0.796 . . . . 10.0 112.779 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.93 -33.24 70.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.048 0.84 . . . . 10.0 112.155 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -34.91 76.3 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.5 1.12 . . . . 10.0 110.744 176.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -24.92 60.82 Favored 'General case' 0 CA--C 1.553 1.059 0 O-C-N 121.504 -0.748 . . . . 10.0 111.517 169.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.43 -34.56 67.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.461 1.504 . . . . 10.0 111.169 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CD1' HG23 ' A' ' 20' ' ' VAL . 1.2 t80 -57.22 -43.41 82.81 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.79 -1.189 . . . . 10.0 107.79 168.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.06 93.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.379 2.271 . . . . 10.0 112.526 174.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.93 -42.96 80.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.494 1.518 . . . . 10.0 111.864 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.64 -37.71 82.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.802 1.641 . . . . 10.0 110.656 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -76.19 27.11 0.12 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.666 2.387 . . . . 10.0 113.741 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t -144.83 12.95 1.47 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.695 2.798 . . . . 10.0 110.378 168.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -121.49 -51.07 2.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.209 2.604 . . . . 10.0 110.294 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.3 t -50.38 -43.36 54.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.597 1.959 . . . . 10.0 113.164 169.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.0 t -52.17 -28.61 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 130.502 3.521 . . . . 10.0 113.584 171.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -113.98 12.65 18.08 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 130.454 3.502 . . . . 10.0 112.334 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.65 -34.04 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 C-N-CA 129.157 2.983 . . . . 10.0 110.841 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -58.88 -31.88 68.99 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -54.51 -33.7 60.39 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 128.259 2.624 . . . . 10.0 112.098 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -32.21 40.15 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.809 1.644 . . . . 10.0 112.843 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.48 -44.22 90.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-O 122.164 0.983 . . . . 10.0 108.404 168.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.66 -34.26 77.8 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.545 1.138 . . . . 10.0 113.242 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.45 71.54 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.974 -1.079 . . . . 10.0 111.162 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 -34.95 75.02 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.06 -1.025 . . . . 10.0 112.315 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.84 -39.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.322 1.049 . . . . 10.0 110.094 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.73 -50.36 74.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.397 1.079 . . . . 10.0 111.434 170.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -55.2 -35.84 65.28 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.57 1.077 . . . . 10.0 112.802 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -62.05 -9.88 8.5 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.533 1.533 . . . . 10.0 114.399 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -126.73 -25.56 3.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -64.94 -15.51 62.22 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.035 -1.041 . . . . 10.0 113.164 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -52.61 -21.82 4.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.653 1.581 . . . . 10.0 113.898 171.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.14 -24.57 67.95 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.007 1.323 . . . . 10.0 114.494 173.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.1 t60 . . . . . 0 C--O 1.255 1.354 0 C-N-CA 125.608 1.563 . . . . 10.0 113.359 -179.157 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 118.902 -0.57 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.4 155.73 40.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 123.369 1.557 . . . . 10.0 114.303 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 p -78.77 149.3 74.04 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-N 111.878 -2.419 . . . . 10.0 109.432 168.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -68.0 110.74 2.25 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 121.739 1.626 . . . . 10.0 110.059 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -47.36 -50.04 23.12 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 115.055 1.502 . . . . 10.0 115.055 -168.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -66.46 -5.44 11.08 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.73 1.381 . . . . 10.0 114.73 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 13.92 9.63 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.162 1.839 . . . . 10.0 114.43 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -148.98 -36.57 0.17 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.101 1.45 . . . . 10.0 114.674 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.69 -40.08 65.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.414 1.886 . . . . 10.0 112.594 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.43 -12.82 16.1 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -106.93 -13.4 15.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.077 1.351 . . . . 10.0 113.525 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -97.72 -51.32 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.601 2.361 . . . . 10.0 111.784 -176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -65.62 -38.87 90.66 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.403 1.081 . . . . 10.0 111.064 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.73 61.89 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.341 0.867 . . . . 10.0 113.341 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -56.68 -45.95 81.45 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.917 -1.115 . . . . 10.0 110.991 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -5.59 1.46 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.588 2.355 . . . . 10.0 114.415 170.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -121.26 -5.34 9.42 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.35 2.26 . . . . 10.0 114.883 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 t -138.93 -31.83 0.7 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.297 1.591 . . . . 10.0 115.297 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.81 -31.26 49.82 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 109.004 -1.638 . . . . 10.0 109.004 168.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -51.05 -36.48 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 C-N-CA 125.908 1.683 . . . . 10.0 111.83 168.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.05 -19.88 64.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.061 0.944 . . . . 10.0 113.232 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.94 -28.64 64.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.0 1.273 . . . . 10.0 111.551 168.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.96 -44.68 17.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.571 0.748 . . . . 10.0 112.157 169.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.68 -45.23 81.85 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.756 1.622 . . . . 10.0 111.903 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t -58.92 -45.05 91.29 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.071 0.948 . . . . 10.0 110.036 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.24 -52.08 66.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.194 1.397 . . . . 10.0 114.067 171.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.21 -37.58 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.438 1.017 . . . . 10.0 111.237 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 m -68.97 -27.71 65.97 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 123.445 0.698 . . . . 10.0 111.228 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.2 -28.74 42.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.721 -1.237 . . . . 10.0 111.237 174.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.75 92.03 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.625 -1.297 . . . . 10.0 109.403 167.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.98 -29.4 67.6 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.759 1.624 . . . . 10.0 113.345 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.76 -31.42 68.34 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.299 1.863 . . . . 10.0 109.238 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -75.91 -44.39 40.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.963 1.305 . . . . 10.0 111.278 169.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.09 -19.65 61.78 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.086 -1.009 . . . . 10.0 111.898 -175.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.58 -23.11 34.58 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 125.915 1.686 . . . . 10.0 110.451 169.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 -51.74 8.32 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.775 2.43 . . . . 10.0 116.094 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -140.76 47.46 1.11 Allowed Pre-proline 0 N--CA 1.489 1.516 0 C-N-CA 127.377 2.271 . . . . 10.0 109.748 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.566 7.5 Cg_exo -16.2 -90.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 2 N-CA-C 123.897 4.537 . . . . 10.0 123.897 -165.481 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.45 10.62 1.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 119.516 1.053 . . . . 10.0 113.802 -169.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -49.48 106.85 0.68 Allowed Pre-proline 0 C--N 1.347 0.488 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 167.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.99 -24.54 45.39 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 N-CA-C 114.917 1.084 . . . . 10.0 114.917 -167.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.31 95.22 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.889 0.768 . . . . 10.0 112.122 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.46 -42.99 21.63 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.092 1.145 . . . . 10.0 114.092 171.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.19 -34.66 78.6 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.701 1.137 . . . . 10.0 109.892 -179.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.12 56.71 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.858 1.208 . . . . 10.0 111.764 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.96 81.91 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.152 0.887 . . . . 10.0 111.313 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.8 t80 -61.1 -55.17 35.65 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.21 -0.931 . . . . 10.0 111.535 170.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.75 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.254 0.0 OUTLIER -66.35 -21.63 66.25 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.758 0.661 . . . . 10.0 111.463 -176.348 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -69.21 -52.78 24.37 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 125.297 1.439 . . . . 10.0 110.744 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -64.8 -37.26 87.0 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 125.037 1.335 . . . . 10.0 112.66 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.8 -38.14 60.81 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 129.551 3.14 . . . . 10.0 111.114 169.2 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -80.13 -41.25 25.79 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 123.581 0.752 . . . . 10.0 112.955 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -57.38 -32.63 67.0 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.073 0.851 . . . . 10.0 112.184 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -37.94 76.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.526 1.13 . . . . 10.0 111.109 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.35 -28.05 64.83 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.728 -0.607 . . . . 10.0 112.167 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.88 -36.51 72.81 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.127 1.771 . . . . 10.0 111.545 169.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 t80 -56.68 -43.89 80.89 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.694 -1.224 . . . . 10.0 107.694 168.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -38.0 84.91 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.661 2.384 . . . . 10.0 112.741 174.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -69.39 -45.6 68.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.691 1.597 . . . . 10.0 112.213 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.1 82.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.718 1.607 . . . . 10.0 110.965 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.497 ' HA ' HG22 ' A' ' 64' ' ' THR . 29.5 tp60 -78.44 30.48 0.19 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.539 1.936 . . . . 10.0 114.229 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.7 t -145.48 18.22 1.51 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.683 3.193 . . . . 10.0 110.362 168.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -130.41 -47.29 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.996 2.519 . . . . 10.0 111.444 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -54.69 -37.35 65.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.997 1.719 . . . . 10.0 113.17 168.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.93 -25.81 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 130.694 3.598 . . . . 10.0 113.483 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -120.0 12.15 11.9 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.624 3.57 . . . . 10.0 111.928 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 t -113.3 -31.05 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 C-N-CA 130.221 3.409 . . . . 10.0 110.385 169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -56.47 -28.31 59.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.654 1.182 . . . . 10.0 108.881 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -54.65 -33.17 60.27 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 129.902 3.281 . . . . 10.0 112.642 168.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -84.83 -30.77 24.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.842 2.057 . . . . 10.0 113.672 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.64 -40.97 89.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 122.299 1.047 . . . . 10.0 108.461 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.88 -37.04 85.34 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.994 1.318 . . . . 10.0 112.538 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.03 -10.46 22.08 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 121.168 -0.958 . . . . 10.0 113.092 168.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.77 -33.2 11.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.909 2.084 . . . . 10.0 111.86 169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.26 -36.56 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.837 1.255 . . . . 10.0 109.421 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -14.41 1.02 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.008 2.923 . . . . 10.0 113.743 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -122.49 15.14 10.36 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 128.69 2.796 . . . . 10.0 112.338 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -134.37 -30.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.191 1.796 . . . . 10.0 113.392 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -75.1 -5.79 46.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.976 1.71 . . . . 10.0 113.594 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -130.86 146.41 52.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.713 1.205 . . . . 10.0 112.16 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.32 163.04 37.72 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.86 1.664 . . . . 10.0 111.579 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -146.35 144.35 29.71 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.967 1.307 . . . . 10.0 110.745 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.499 1.519 . . . . 10.0 111.929 -171.03 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.64 161.7 40.64 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 123.425 1.583 . . . . 10.0 113.26 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 p -78.43 156.55 78.41 Favored Pre-proline 0 N--CA 1.447 -0.624 0 CA-C-N 112.133 -2.303 . . . . 10.0 108.628 167.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.13 75.79 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.736 2.291 . . . . 10.0 112.654 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -47.51 -33.94 6.92 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.009 2.524 . . . . 10.0 115.15 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -63.02 -19.29 64.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.064 1.135 . . . . 10.0 114.064 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.38 -2.84 87.3 Favored Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.49 1.519 . . . . 10.0 114.617 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.41 -12.76 2.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.865 2.066 . . . . 10.0 113.915 -174.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -51.56 -50.34 60.27 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.684 1.593 . . . . 10.0 113.63 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -77.38 16.81 0.56 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.086 0.955 . . . . 10.0 113.53 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.91 -40.64 2.02 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.931 2.092 . . . . 10.0 110.267 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.77 -55.07 10.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 C-N-CA 126.028 1.731 . . . . 10.0 112.513 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -68.13 -36.32 79.51 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.6 0.76 . . . . 10.0 111.044 171.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.84 -29.23 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.588 0.959 . . . . 10.0 113.588 -173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -56.14 -24.87 43.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.707 1.203 . . . . 10.0 113.433 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.67 -3.76 38.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.212 2.605 . . . . 10.0 114.714 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.79 -17.16 21.0 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.809 1.781 . . . . 10.0 115.809 -169.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -98.28 -25.68 14.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.06 1.344 . . . . 10.0 114.291 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.91 -40.01 7.28 Favored Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.213 -0.929 . . . . 10.0 111.703 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.73 -34.53 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 C-N-CA 124.418 1.087 . . . . 10.0 110.863 168.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.0 -21.18 64.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.686 1.195 . . . . 10.0 113.978 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -69.94 -27.03 64.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.541 1.519 . . . . 10.0 111.038 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.98 -44.73 17.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.937 0.895 . . . . 10.0 112.415 169.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.94 -46.59 84.8 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.802 1.641 . . . . 10.0 111.862 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.72 -44.85 82.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.437 1.095 . . . . 10.0 109.937 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -59.33 -51.63 69.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.207 1.403 . . . . 10.0 114.32 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.19 -37.64 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 119.491 1.041 . . . . 10.0 110.963 177.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.0 m -69.74 -27.96 65.39 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 123.605 0.762 . . . . 10.0 111.448 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.09 -29.68 43.45 Favored 'General case' 0 N--CA 1.444 -0.768 0 O-C-N 120.801 -1.187 . . . . 10.0 111.145 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.82 92.49 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.716 -1.24 . . . . 10.0 109.562 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.08 -29.93 68.13 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.674 1.59 . . . . 10.0 113.177 169.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.52 -31.99 68.43 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 121.408 1.913 . . . . 10.0 109.144 171.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -75.13 -44.43 47.07 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.63 1.172 . . . . 10.0 111.431 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.23 -19.77 61.66 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.993 -1.067 . . . . 10.0 111.828 -175.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.92 -23.32 36.28 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.963 1.705 . . . . 10.0 110.455 169.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -52.14 7.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.796 2.438 . . . . 10.0 116.248 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.0 tttt -140.08 46.63 1.03 Allowed Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 127.361 2.264 . . . . 10.0 110.126 -175.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.579 6.6 Cg_exo -14.9 -91.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 2 N-CA-C 123.99 4.573 . . . . 10.0 123.99 -165.526 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.82 9.46 1.86 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.052 1.131 . . . . 10.0 114.052 -169.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -48.26 107.63 0.78 Allowed Pre-proline 0 C--N 1.347 0.465 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.17 -23.82 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 N-CA-C 114.809 1.042 . . . . 10.0 114.809 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.75 93.44 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.932 0.787 . . . . 10.0 111.947 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.56 -43.35 20.8 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.102 1.149 . . . . 10.0 114.102 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.88 -34.8 78.76 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.787 1.176 . . . . 10.0 109.837 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.33 55.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 119.748 1.158 . . . . 10.0 111.79 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.25 79.56 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.21 -0.931 . . . . 10.0 111.33 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.6 t80 -61.44 -55.26 33.22 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 123.927 0.891 . . . . 10.0 111.557 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.257 0.0 OUTLIER -65.98 -24.64 66.83 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.802 0.811 . . . . 10.0 111.25 -176.185 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.3 m -66.86 -50.64 61.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 124.834 1.253 . . . . 10.0 111.125 169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.35 -37.67 83.62 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.417 1.087 . . . . 10.0 112.646 -178.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -52.63 -39.96 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.296 3.038 . . . . 10.0 110.094 168.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -77.15 -42.21 38.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 171.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -58.57 -33.92 70.48 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.435 1.016 . . . . 10.0 112.27 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.19 -38.46 78.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.257 1.023 . . . . 10.0 110.563 177.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.91 -26.23 63.12 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 169.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.26 -39.38 71.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.232 1.813 . . . . 10.0 111.148 169.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.8 t80 -55.29 -44.28 75.58 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 168.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -35.23 80.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.708 2.403 . . . . 10.0 113.002 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.05 -45.87 69.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.288 1.835 . . . . 10.0 111.027 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.29 88.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.132 1.773 . . . . 10.0 110.789 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 27.89 0.19 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.418 2.287 . . . . 10.0 113.306 168.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -144.5 18.32 1.69 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.912 2.885 . . . . 10.0 109.708 168.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -121.75 -51.76 2.03 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 128.027 2.531 . . . . 10.0 110.208 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -53.35 -38.83 63.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.703 2.001 . . . . 10.0 114.325 169.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.2 t -56.53 -44.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 128.561 2.744 . . . . 10.0 111.458 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.09 8.02 9.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 129.157 2.983 . . . . 10.0 113.258 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.27 -34.86 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 128.377 2.671 . . . . 10.0 111.234 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -66.14 -24.4 66.66 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.159 -1.422 . . . . 10.0 107.159 166.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -59.04 -36.21 74.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.385 -1.447 . . . . 10.0 110.017 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -33.43 51.81 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.057 1.743 . . . . 10.0 112.984 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -42.31 92.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.988 0.899 . . . . 10.0 110.475 169.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.81 -34.59 78.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.552 -1.343 . . . . 10.0 113.694 172.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.04 71.21 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 120.891 -1.131 . . . . 10.0 111.456 169.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.96 72.31 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.99 -1.069 . . . . 10.0 112.692 169.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.4 -40.23 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.062 0.945 . . . . 10.0 110.283 169.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.3 -45.06 94.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.634 1.574 . . . . 10.0 112.081 171.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.88 -31.23 69.59 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.722 -1.236 . . . . 10.0 112.978 170.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.5 -2.36 25.37 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 10.0 114.983 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -58.78 158.38 8.18 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.814 -1.179 . . . . 10.0 113.835 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -61.47 104.73 0.44 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.376 1.07 . . . . 10.0 111.233 173.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.97 141.66 57.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.997 0.919 . . . . 10.0 112.571 -173.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -141.33 160.32 40.36 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.312 1.845 . . . . 10.0 110.845 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.008 1.323 . . . . 10.0 113.543 173.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 119.311 -0.376 . . . . 10.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.32 161.88 39.12 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.299 1.44 . . . . 10.0 112.606 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 12.8 p -78.46 146.2 69.43 Favored Pre-proline 0 N--CA 1.445 -0.681 0 CA-C-N 113.026 -1.897 . . . . 10.0 109.637 168.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 21.4 Cg_exo -64.29 125.05 14.36 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 120.623 0.882 . . . . 10.0 113.698 -169.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -61.11 -20.86 63.13 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.727 1.01 . . . . 10.0 113.727 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -57.81 -21.92 44.63 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.373 1.249 . . . . 10.0 114.373 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.49 -5.41 78.99 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.959 1.266 . . . . 10.0 114.823 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -140.48 8.34 2.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.945 2.098 . . . . 10.0 113.076 -171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -46.07 -49.64 16.18 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.972 2.109 . . . . 10.0 114.507 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.37 12.59 1.17 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.964 1.098 . . . . 10.0 113.964 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -140.24 10.94 2.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.973 1.709 . . . . 10.0 112.027 169.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -117.33 -59.19 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 126.378 1.871 . . . . 10.0 110.765 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -66.43 -50.36 63.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.915 0.886 . . . . 10.0 110.191 169.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.71 59.2 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.16 1.17 . . . . 10.0 114.16 -171.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.97 -41.88 64.98 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.241 1.416 . . . . 10.0 110.701 169.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.37 -55.46 7.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.688 1.195 . . . . 10.0 110.909 168.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -29.36 68.43 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.533 2.049 . . . . 10.0 116.533 -169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -88.97 -30.68 18.6 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.403 -0.811 . . . . 10.0 113.077 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.73 -40.98 13.51 Favored Glycine 0 N--CA 1.47 0.941 0 O-C-N 121.457 -0.777 . . . . 10.0 111.723 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 57' ' ' TYR . 0.8 OUTLIER -56.13 -40.52 65.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 C-N-CA 123.556 0.742 . . . . 10.0 110.625 169.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.44 -24.43 65.63 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 113.855 1.058 . . . . 10.0 113.855 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.91 -27.86 65.13 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 120.13 1.332 . . . . 10.0 112.409 169.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.8 -44.56 18.32 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.681 0.792 . . . . 10.0 112.357 169.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -57.55 -46.74 83.54 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 126.892 2.077 . . . . 10.0 111.646 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -56.74 -46.5 81.34 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.469 1.108 . . . . 10.0 109.714 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.28 -51.82 68.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.265 1.426 . . . . 10.0 114.48 173.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.99 -37.67 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.396 0.998 . . . . 10.0 110.973 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 m -68.08 -27.64 66.67 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 123.534 0.734 . . . . 10.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -78.96 -29.0 43.72 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.867 -1.145 . . . . 10.0 111.186 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.91 93.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.608 -1.307 . . . . 10.0 109.306 167.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.45 -29.65 69.17 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.516 1.526 . . . . 10.0 113.4 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.48 -31.4 69.31 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 121.164 1.802 . . . . 10.0 109.136 172.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -75.46 -44.76 42.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.887 1.275 . . . . 10.0 111.152 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -19.7 61.62 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.025 -1.047 . . . . 10.0 111.798 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.9 37.02 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.948 1.699 . . . . 10.0 110.435 169.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.93 8.06 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.69 2.396 . . . . 10.0 116.164 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.9 ttmt -141.34 49.13 1.4 Allowed Pre-proline 0 N--CA 1.49 1.563 0 C-N-CA 127.309 2.244 . . . . 10.0 109.682 -175.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.565 7.3 Cg_exo -17.17 -90.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.187 2 N-CA-C 123.79 4.496 . . . . 10.0 123.79 -165.601 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.2 p -76.06 10.53 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 119.699 1.136 . . . . 10.0 113.815 -169.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -49.22 106.92 0.68 Allowed Pre-proline 0 N--CA 1.469 0.493 0 N-CA-C 105.927 -1.879 . . . . 10.0 105.927 167.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -66.24 -24.18 51.32 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 N-CA-C 115.9 1.462 . . . . 10.0 115.9 -166.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.3 77.92 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.853 0.751 . . . . 10.0 112.388 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.2 -42.38 23.43 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.038 0.835 . . . . 10.0 112.979 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.64 -44.15 97.0 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 117.621 -1.18 . . . . 10.0 108.519 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.88 -19.93 60.56 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 122.258 2.299 . . . . 10.0 112.521 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.63 79.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.332 0.969 . . . . 10.0 109.761 168.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -61.54 -51.02 70.31 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 123.844 0.858 . . . . 10.0 109.974 168.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.4 mm100 -54.6 -31.42 57.0 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.474 1.11 . . . . 10.0 112.084 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -50.57 21.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.189 0.996 . . . . 10.0 112.243 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.42 -34.25 76.85 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 124.2 1.0 . . . . 10.0 112.326 -178.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -54.06 -43.24 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 129.205 3.002 . . . . 10.0 109.996 168.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -73.52 -42.21 62.04 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.561 0.745 . . . . 10.0 112.898 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.37 72.47 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.328 -0.858 . . . . 10.0 112.387 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -36.5 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.929 0.892 . . . . 10.0 110.242 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -26.05 65.21 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 121.71 -0.619 . . . . 10.0 112.072 169.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.099 1.759 . . . . 10.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 14.3 t80 -54.87 -42.62 72.26 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 107.679 -1.23 . . . . 10.0 107.679 168.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -35.78 81.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.186 2.194 . . . . 10.0 113.466 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.41 -45.15 80.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.638 1.575 . . . . 10.0 110.741 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.1 -41.95 98.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.118 1.767 . . . . 10.0 111.189 170.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -79.28 30.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.027 2.131 . . . . 10.0 113.588 169.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.18 17.77 1.38 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.291 3.037 . . . . 10.0 109.949 168.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -125.33 -51.02 1.64 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 127.361 2.265 . . . . 10.0 110.441 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -51.94 -41.04 61.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.378 1.871 . . . . 10.0 113.791 169.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.6 t -50.9 -29.81 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 130.317 3.447 . . . . 10.0 113.448 170.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -113.14 14.4 19.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 130.352 3.461 . . . . 10.0 112.544 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -34.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 C-N-CA 129.308 3.043 . . . . 10.0 110.332 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.09 -20.92 66.71 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 107.443 -1.317 . . . . 10.0 107.443 166.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -60.02 -36.43 77.23 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.641 1.576 . . . . 10.0 109.95 167.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -32.94 45.6 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.307 1.843 . . . . 10.0 112.692 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -42.25 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.964 0.888 . . . . 10.0 110.089 169.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.62 -31.64 72.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 120.568 -1.333 . . . . 10.0 113.742 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.81 70.27 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 119.19 0.904 . . . . 10.0 111.565 169.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.66 -34.96 58.24 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.814 -1.179 . . . . 10.0 112.053 169.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.59 -34.77 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.149 -0.969 . . . . 10.0 109.75 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.97 -46.96 86.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.722 2.009 . . . . 10.0 111.448 173.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.53 -38.38 87.2 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.926 0.89 . . . . 10.0 112.286 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.98 -37.87 87.06 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.16 0.984 . . . . 10.0 112.733 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -71.07 -40.98 71.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.449 1.499 . . . . 10.0 112.552 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -78.88 53.67 1.43 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.093 1.357 . . . . 10.0 112.224 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -58.72 160.53 5.57 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.798 1.639 . . . . 10.0 113.145 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -68.74 -18.37 64.21 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.584 1.698 . . . . 10.0 115.584 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.208 1.403 . . . . 10.0 113.256 -179.287 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 110.564 -0.161 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.22 158.11 20.9 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 123.442 1.592 . . . . 10.0 114.883 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 13.6 p -81.57 149.73 65.18 Favored Pre-proline 0 N--CA 1.448 -0.548 0 CA-C-N 112.333 -2.212 . . . . 10.0 109.382 168.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 12.4 Cg_exo -66.65 109.61 1.68 Allowed 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 121.084 1.189 . . . . 10.0 113.115 -174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -20.5 58.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.925 1.454 . . . . 10.0 114.925 -173.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -58.78 -22.95 59.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.907 1.283 . . . . 10.0 114.415 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.92 -3.7 82.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.633 1.111 . . . . 10.0 114.767 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -142.24 7.13 1.76 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.447 2.299 . . . . 10.0 113.098 -170.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 tp -48.73 -51.24 29.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.307 1.843 . . . . 10.0 114.65 -168.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.15 10.33 1.59 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.375 1.25 . . . . 10.0 114.375 -176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -122.87 -32.14 3.56 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.225 1.81 . . . . 10.0 111.343 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -82.59 -60.87 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 126.016 1.726 . . . . 10.0 111.903 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -60.84 -39.2 88.18 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.873 0.869 . . . . 10.0 110.962 172.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.74 69.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.413 1.264 . . . . 10.0 114.413 -173.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -58.87 -29.23 66.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.421 1.088 . . . . 10.0 112.806 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.61 -28.8 15.19 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.654 2.382 . . . . 10.0 112.872 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.31 -19.92 16.52 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.014 1.857 . . . . 10.0 116.014 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -95.0 -25.98 16.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.144 1.165 . . . . 10.0 114.144 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.94 -40.58 6.6 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 121.015 -1.053 . . . . 10.0 111.573 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 57' ' ' TYR . 2.1 p -57.53 -33.73 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 124.458 1.103 . . . . 10.0 110.695 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 -68.42 -24.21 64.71 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.196 0.998 . . . . 10.0 113.467 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.35 -23.35 62.79 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 120.035 1.289 . . . . 10.0 110.943 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 27' ' ' VAL 0.381 0.4 OUTLIER -85.53 -42.64 14.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.467 0.707 . . . . 10.0 112.285 168.876 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 22.4 tp60 -55.61 -47.86 75.84 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 126.577 1.951 . . . . 10.0 111.799 173.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.4 -45.19 84.81 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 124.539 1.136 . . . . 10.0 109.888 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -59.3 -50.12 75.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.549 1.54 . . . . 10.0 114.213 173.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.54 -38.49 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 119.458 1.026 . . . . 10.0 110.638 176.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.9 m -68.31 -27.47 66.32 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.581 0.752 . . . . 10.0 111.268 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.93 -29.44 39.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.997 -1.065 . . . . 10.0 111.021 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.2 96.38 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.75 -1.218 . . . . 10.0 109.23 167.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.99 -29.86 68.98 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.467 1.507 . . . . 10.0 113.181 169.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.94 -33.38 70.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 121.544 1.975 . . . . 10.0 109.182 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -72.71 -44.16 62.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.538 1.135 . . . . 10.0 111.236 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.95 -19.95 61.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.01 -1.056 . . . . 10.0 111.855 -175.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.63 38.44 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 125.984 1.714 . . . . 10.0 110.242 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.32 -53.47 6.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.031 2.533 . . . . 10.0 116.533 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HB3' HD21 ' A' ' 43' ' ' LEU . 33.6 ttmt -139.56 49.04 1.81 Allowed Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 127.407 2.283 . . . . 10.0 109.544 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.568 6.7 Cg_exo -17.09 -89.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.166 2 N-CA-C 123.863 4.524 . . . . 10.0 123.863 -165.593 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.6 p -76.18 10.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.548 1.067 . . . . 10.0 113.876 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.35 107.09 0.71 Allowed Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 167.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.6 -23.95 48.97 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 N-CA-C 115.956 1.483 . . . . 10.0 115.956 -166.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.5 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.793 0.724 . . . . 10.0 112.237 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.22 -41.95 24.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.177 0.899 . . . . 10.0 112.564 170.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.08 -45.26 92.96 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 117.84 -1.076 . . . . 10.0 108.699 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.01 -19.83 60.51 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 121.925 2.148 . . . . 10.0 112.229 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.18 78.26 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.499 1.045 . . . . 10.0 109.81 168.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -61.69 -52.71 63.2 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 118.649 -0.691 . . . . 10.0 109.623 168.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.5 mm100 -54.23 -31.7 54.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 10.0 112.197 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.4 m -72.35 -55.25 7.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.074 0.95 . . . . 10.0 111.586 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -63.06 -37.36 86.88 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.627 1.171 . . . . 10.0 112.126 -177.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.32 -42.32 61.13 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 129.349 3.06 . . . . 10.0 110.942 168.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -78.34 -41.99 31.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.704 0.801 . . . . 10.0 112.615 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -57.99 -35.16 70.82 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 118.779 0.718 . . . . 10.0 111.548 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -32.18 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.848 1.259 . . . . 10.0 110.243 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -26.41 60.44 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 121.984 -0.447 . . . . 10.0 111.282 168.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.01 -35.37 66.79 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.305 1.842 . . . . 10.0 111.396 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD1' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -55.87 -43.56 77.26 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 168.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -42.2 99.45 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 128.271 2.628 . . . . 10.0 112.704 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.79 -44.23 81.85 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.345 1.458 . . . . 10.0 111.553 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.83 90.94 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.699 1.6 . . . . 10.0 110.719 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.432 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.0 OUTLIER -76.98 25.34 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.095 1.758 . . . . 10.0 114.751 169.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t -143.39 16.05 1.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 128.82 2.848 . . . . 10.0 110.394 168.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.98 -49.65 1.96 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.012 2.525 . . . . 10.0 110.219 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -49.75 -42.93 47.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.669 1.988 . . . . 10.0 113.246 169.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -54.5 -26.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 130.793 3.637 . . . . 10.0 113.704 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -113.95 11.93 17.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 130.446 3.498 . . . . 10.0 112.046 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 4.7 t -114.11 -33.77 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 129.111 2.964 . . . . 10.0 110.945 176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -58.2 -32.63 68.44 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 167.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -55.58 -35.22 65.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.565 2.746 . . . . 10.0 112.135 167.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -31.03 38.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 126.095 1.758 . . . . 10.0 112.893 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.7 -43.91 93.52 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 168.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.78 -36.84 85.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.219 1.008 . . . . 10.0 113.123 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.56 -13.77 59.68 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 120.884 -1.135 . . . . 10.0 112.353 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.53 -33.88 15.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.768 1.627 . . . . 10.0 111.781 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.3 -38.72 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.884 1.274 . . . . 10.0 109.267 169.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -47.86 74.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.102 2.161 . . . . 10.0 111.851 169.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.09 -28.18 67.13 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.93 -1.106 . . . . 10.0 113.92 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -60.67 -16.67 41.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.648 1.579 . . . . 10.0 114.021 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -62.04 -21.53 64.98 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.73 -1.231 . . . . 10.0 113.397 169.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.7 t60 14.62 60.32 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 131.22 3.808 . . . . 10.0 117.145 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.39 132.68 42.2 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.117 -0.99 . . . . 10.0 110.281 169.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -69.84 146.32 51.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.648 0.779 . . . . 10.0 112.076 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.804 1.642 . . . . 10.0 111.509 176.085 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.424 0.154 . . . . 10.0 111.395 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.88 159.53 43.81 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 123.008 1.385 . . . . 10.0 113.18 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 p -81.55 145.85 55.81 Favored Pre-proline 0 C--O 1.239 0.518 0 CA-C-N 112.698 -2.046 . . . . 10.0 109.911 168.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -64.86 135.32 44.03 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 120.86 1.04 . . . . 10.0 112.939 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -55.15 -40.64 70.82 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.518 0.932 . . . . 10.0 113.518 -170.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.52 -1.74 3.95 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.498 1.295 . . . . 10.0 114.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.11 23.68 4.61 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.052 1.787 . . . . 10.0 113.683 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -150.08 -43.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.699 1.599 . . . . 10.0 113.56 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.94 -37.15 68.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.336 1.854 . . . . 10.0 112.444 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.83 -16.42 40.89 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -97.4 -34.88 10.87 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.301 1.04 . . . . 10.0 112.888 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.9 t -71.46 -55.68 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.304 1.841 . . . . 10.0 111.591 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -65.62 -29.16 69.71 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.577 1.151 . . . . 10.0 112.226 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.16 -24.45 67.69 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.932 -1.105 . . . . 10.0 113.378 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -62.47 -35.19 78.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.041 0.936 . . . . 10.0 112.375 170.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -49.43 60.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.58 1.152 . . . . 10.0 108.492 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.98 -24.77 55.69 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.055 1.872 . . . . 10.0 116.055 -171.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -98.26 -28.04 13.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.017 1.118 . . . . 10.0 114.017 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.63 -39.36 18.05 Favored Glycine 0 N--CA 1.472 1.099 0 O-C-N 120.969 -1.082 . . . . 10.0 111.964 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.41 -37.29 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 124.594 1.158 . . . . 10.0 111.263 169.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.74 -23.64 64.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -26.97 64.61 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 120.064 1.302 . . . . 10.0 111.891 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.3 -43.61 18.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.801 0.84 . . . . 10.0 112.506 169.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.94 -47.11 83.85 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 126.416 1.886 . . . . 10.0 111.784 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -56.8 -45.39 82.26 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.557 1.143 . . . . 10.0 109.758 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.76 68.46 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.142 1.377 . . . . 10.0 114.482 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -64.45 -37.85 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.494 1.043 . . . . 10.0 111.033 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -67.71 -27.45 66.82 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 123.575 0.75 . . . . 10.0 111.331 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.83 -28.2 40.16 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 120.826 -1.171 . . . . 10.0 111.427 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.25 91.83 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.406 -1.434 . . . . 10.0 109.121 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -67.96 -29.82 68.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.455 1.502 . . . . 10.0 113.274 169.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.37 -31.94 68.11 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 121.421 1.919 . . . . 10.0 109.441 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -75.11 -44.61 46.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.814 1.246 . . . . 10.0 111.357 169.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -19.73 61.69 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 122.212 1.005 . . . . 10.0 111.859 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.85 -22.98 36.66 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 125.814 1.645 . . . . 10.0 110.444 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -52.42 7.54 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.792 2.437 . . . . 10.0 116.235 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 43' ' ' LEU . 32.6 ttmt -140.53 48.77 1.48 Allowed Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 127.378 2.271 . . . . 10.0 109.653 -176.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.564 7.4 Cg_exo -16.87 -90.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 2 N-CA-C 123.862 4.524 . . . . 10.0 123.862 -165.539 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -75.92 10.57 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 119.581 1.082 . . . . 10.0 113.848 -169.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.19 106.68 0.65 Allowed Pre-proline 0 N--CA 1.469 0.517 0 N-CA-C 105.816 -1.92 . . . . 10.0 105.816 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -66.09 -23.87 52.81 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 N-CA-C 115.993 1.497 . . . . 10.0 115.993 -166.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.82 76.1 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.873 0.76 . . . . 10.0 112.583 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.14 -42.0 24.34 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.151 0.887 . . . . 10.0 112.942 170.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.21 -44.6 94.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 117.705 -1.141 . . . . 10.0 108.243 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -74.05 -19.86 60.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 122.249 2.295 . . . . 10.0 112.434 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.17 80.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.412 1.005 . . . . 10.0 109.697 168.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -60.83 -51.34 69.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.96 0.904 . . . . 10.0 109.923 168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HA ' HD13 ' A' ' 51' ' ' LEU . 16.0 mm100 -54.79 -31.19 58.65 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.378 1.071 . . . . 10.0 112.09 176.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 t -73.57 -50.24 22.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.199 1.0 . . . . 10.0 112.067 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.82 -36.15 81.71 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 124.263 1.025 . . . . 10.0 112.047 -177.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -52.16 -40.55 61.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 129.354 3.062 . . . . 10.0 110.474 168.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 m -78.69 -41.18 31.79 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.987 0.915 . . . . 10.0 113.108 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HA ' HD22 ' A' ' 56' ' ' LEU . 54.4 mm-40 -58.81 -34.5 71.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.33 0.968 . . . . 10.0 112.156 175.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.35 83.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.349 1.06 . . . . 10.0 110.369 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.69 -25.36 62.93 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 121.68 -0.637 . . . . 10.0 112.641 169.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 53' ' ' GLU . 1.1 mp -71.91 -38.45 69.9 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.89 1.676 . . . . 10.0 111.457 169.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.3 t80 -54.9 -43.63 73.43 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 168.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -35.32 80.07 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.098 2.159 . . . . 10.0 113.43 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.1 -44.49 76.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.643 1.577 . . . . 10.0 110.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.26 97.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.593 1.557 . . . . 10.0 111.353 170.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 64' ' ' THR . 5.6 tp60 -81.78 33.36 0.37 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.209 1.804 . . . . 10.0 114.179 169.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 t -137.92 -24.66 1.01 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 129.787 3.235 . . . . 10.0 109.88 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -75.33 -52.4 10.91 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.12 1.768 . . . . 10.0 113.925 171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 61' ' ' GLN . 9.8 t -52.06 -40.47 61.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.782 2.033 . . . . 10.0 114.273 174.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -57.78 -30.77 38.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 129.716 3.206 . . . . 10.0 112.179 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.56 11.89 38.52 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 129.952 3.301 . . . . 10.0 113.954 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.5 t -114.78 -35.11 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 C-N-CA 128.638 2.775 . . . . 10.0 111.16 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.54 -29.47 69.16 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.388 -0.967 . . . . 10.0 108.388 167.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -53.32 -34.1 56.07 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 127.786 2.434 . . . . 10.0 111.462 167.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.68 -29.12 40.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.497 1.519 . . . . 10.0 113.022 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.54 -44.0 77.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 168.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.57 -31.75 72.97 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.369 1.068 . . . . 10.0 113.346 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.46 -32.54 74.02 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.231 1.012 . . . . 10.0 111.227 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.38 66.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.488 1.115 . . . . 10.0 112.573 169.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.24 -41.6 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.759 1.223 . . . . 10.0 110.725 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -56.25 -51.44 68.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.598 . . . . 10.0 110.777 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.58 -32.95 74.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.884 1.273 . . . . 10.0 113.262 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -57.95 -21.15 42.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.389 1.476 . . . . 10.0 113.881 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -123.94 8.04 8.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.449 1.5 . . . . 10.0 113.184 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 40.44 -32.99 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.063 1 C-N-CA 132.195 4.198 . . . . 10.0 120.763 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -156.3 165.25 36.92 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 121.045 1.748 . . . . 10.0 112.469 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.05 151.92 29.5 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.116 1.367 . . . . 10.0 112.329 169.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.679 1.592 . . . . 10.0 111.436 179.432 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.35 162.99 19.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 124.209 1.957 . . . . 10.0 115.435 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -78.23 167.19 37.58 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 110.846 -2.888 . . . . 10.0 106.96 166.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -67.96 43.94 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 123.347 2.698 . . . . 10.0 117.219 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -46.99 -40.46 14.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.834 2.454 . . . . 10.0 113.928 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -59.06 -18.23 33.01 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.116 1.524 . . . . 10.0 115.116 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.67 -0.21 64.66 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.397 1.475 . . . . 10.0 114.802 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.2 -12.78 1.4 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.165 1.786 . . . . 10.0 113.719 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -40.26 -52.55 2.64 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.654 2.782 . . . . 10.0 114.605 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.47 8.36 2.89 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.233 1.197 . . . . 10.0 114.233 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.37 0.63 6.33 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.572 1.549 . . . . 10.0 112.43 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -112.55 -62.29 2.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 C-N-CA 127.102 2.161 . . . . 10.0 110.702 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -61.88 -33.93 75.1 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.186 0.994 . . . . 10.0 111.938 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -15.34 47.92 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.968 1.099 . . . . 10.0 113.968 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -55.62 -38.29 69.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.058 0.943 . . . . 10.0 111.69 169.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.6 83.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.958 1.303 . . . . 10.0 111.64 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -18.39 58.04 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.978 1.473 . . . . 10.0 114.978 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -109.84 -24.83 10.64 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.414 1.485 . . . . 10.0 114.163 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.65 60.05 Favored Glycine 0 N--CA 1.472 1.087 0 O-C-N 120.691 -1.256 . . . . 10.0 112.547 171.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -37.8 48.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 C-N-CA 124.989 1.315 . . . . 10.0 111.853 169.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 14.2 t70 -69.77 -20.74 63.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -70.28 -27.09 64.14 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 120.129 1.331 . . . . 10.0 111.525 168.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -81.11 -44.87 17.31 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.064 0.946 . . . . 10.0 112.399 169.605 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 61.5 tp60 -56.46 -47.81 78.4 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.877 1.671 . . . . 10.0 112.01 174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.65 -44.59 81.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.377 1.071 . . . . 10.0 109.891 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -58.62 -51.99 67.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.201 1.4 . . . . 10.0 114.474 172.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.73 -37.53 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 119.489 1.04 . . . . 10.0 111.058 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -69.83 -27.93 65.27 Favored 'General case' 0 C--O 1.219 -0.54 0 C-N-CA 123.852 0.861 . . . . 10.0 111.527 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -79.44 -29.23 41.74 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 120.777 -1.202 . . . . 10.0 110.986 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.64 91.73 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.636 -1.29 . . . . 10.0 109.461 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.87 -29.97 68.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.657 1.583 . . . . 10.0 113.288 169.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.39 -31.47 67.71 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 121.31 1.868 . . . . 10.0 109.221 171.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.93 -44.44 40.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.846 1.258 . . . . 10.0 111.482 169.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.28 -19.79 61.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.994 -1.066 . . . . 10.0 111.801 -175.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.65 -23.33 37.0 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.848 1.659 . . . . 10.0 110.44 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -52.15 7.81 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.735 2.414 . . . . 10.0 116.12 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.8 tttt -140.27 47.63 1.23 Allowed Pre-proline 0 N--CA 1.489 1.5 0 C-N-CA 127.286 2.234 . . . . 10.0 110.089 -175.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.573 6.6 Cg_exo -15.94 -91.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.104 2 N-CA-C 123.931 4.551 . . . . 10.0 123.931 -165.444 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.9 p -74.92 9.54 1.86 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.998 1.11 . . . . 10.0 113.998 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -48.49 107.6 0.78 Allowed Pre-proline 0 N--CA 1.469 0.499 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 167.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -68.01 -24.01 39.73 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 N-CA-C 114.65 0.981 . . . . 10.0 114.65 -167.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.82 94.13 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.033 0.833 . . . . 10.0 111.959 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.51 -43.59 20.51 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.173 1.175 . . . . 10.0 114.173 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.525 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.73 -34.85 78.81 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.797 1.181 . . . . 10.0 109.732 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.84 -27.3 55.07 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.721 -1.237 . . . . 10.0 112.008 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.43 77.76 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.45 -0.781 . . . . 10.0 111.26 169.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.2 t80 -61.12 -54.98 37.81 Favored 'General case' 0 CA--C 1.503 -0.861 0 O-C-N 121.158 -0.964 . . . . 10.0 111.69 170.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.2 pp0? -65.87 -24.83 66.95 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.846 0.831 . . . . 10.0 111.146 -176.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -66.6 -50.25 63.65 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.452 1.101 . . . . 10.0 111.127 169.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.05 -37.54 84.25 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.561 1.145 . . . . 10.0 112.798 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.47 -37.82 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 129.381 3.072 . . . . 10.0 110.557 168.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -79.4 -41.22 28.2 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -58.28 -34.2 70.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.506 1.048 . . . . 10.0 112.088 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.09 80.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.325 1.05 . . . . 10.0 110.681 177.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -25.36 62.36 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.623 -0.673 . . . . 10.0 112.328 169.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -71.94 -36.24 69.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.964 1.706 . . . . 10.0 111.556 169.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.3 t80 -55.81 -42.6 75.89 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.397 1.094 . . . . 10.0 108.359 168.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -39.73 89.02 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.47 2.308 . . . . 10.0 113.35 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -66.42 -40.3 89.48 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.506 1.522 . . . . 10.0 111.124 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 64' ' ' THR . . . -60.9 -41.35 95.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.219 1.408 . . . . 10.0 110.833 170.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -76.89 32.23 0.14 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.045 2.138 . . . . 10.0 114.452 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -140.98 -38.6 0.42 Allowed 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.099 2.959 . . . . 10.0 108.208 168.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -58.59 -53.17 61.31 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 125.428 1.491 . . . . 10.0 112.409 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.2 t -53.25 -46.58 69.25 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.885 2.074 . . . . 10.0 114.415 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 65' ' ' VAL . 1.4 t -57.95 -35.66 52.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 129.139 2.975 . . . . 10.0 111.46 174.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -97.19 10.97 37.98 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 130.817 3.647 . . . . 10.0 113.803 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.5 -31.82 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 C-N-CA 129.228 3.011 . . . . 10.0 110.938 175.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -58.53 -34.79 71.39 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 107.603 -1.258 . . . . 10.0 107.603 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -56.61 -32.16 65.0 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 128.546 2.738 . . . . 10.0 112.257 167.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -29.08 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.818 1.647 . . . . 10.0 112.974 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.35 -43.49 94.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 108.035 -1.098 . . . . 10.0 108.035 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.55 -34.97 79.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.163 1.385 . . . . 10.0 113.427 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.36 67.03 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 120.424 -1.423 . . . . 10.0 111.262 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -36.47 72.96 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.489 -1.382 . . . . 10.0 111.409 169.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.9 mt -63.38 -39.55 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.302 1.441 . . . . 10.0 110.617 170.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -50.21 73.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.378 1.471 . . . . 10.0 110.909 172.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.02 -28.95 69.42 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.084 -1.01 . . . . 10.0 113.622 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -60.49 -18.13 49.7 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.745 1.218 . . . . 10.0 114.012 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.03 1.84 52.92 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.504 1.298 . . . . 10.0 114.504 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.21 4.02 2.47 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.77 143.96 49.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 120.006 -1.684 . . . . 10.0 112.079 169.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -132.78 -2.21 3.33 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.251 1.204 . . . . 10.0 114.251 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 C--O 1.254 1.328 0 C-N-CA 126.534 1.934 . . . . 10.0 111.008 -178.056 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.77 159.23 40.49 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 123.515 1.626 . . . . 10.0 113.679 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -78.97 159.29 73.71 Favored Pre-proline 0 N--CA 1.443 -0.789 0 CA-C-N 111.704 -2.498 . . . . 10.0 106.661 166.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.63 -5.23 5.41 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 N-CA-C 116.239 1.592 . . . . 10.0 116.239 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -139.57 20.6 2.54 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.972 1.709 . . . . 10.0 114.552 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -52.25 -25.82 10.31 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 116.117 1.895 . . . . 10.0 116.117 -174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.87 6.65 82.61 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.18 1.371 . . . . 10.0 115.081 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -145.49 -56.14 0.31 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.808 1.643 . . . . 10.0 113.09 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.95 -31.88 73.06 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.357 2.263 . . . . 10.0 113.026 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.48 -3.61 9.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.37 1.248 . . . . 10.0 114.37 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -121.67 13.03 10.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.901 1.68 . . . . 10.0 112.525 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.65 -58.82 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 127.762 2.425 . . . . 10.0 110.598 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -64.36 -31.9 73.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.048 0.939 . . . . 10.0 112.214 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.16 67.81 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.039 1.126 . . . . 10.0 114.039 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.06 -25.9 67.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.455 1.102 . . . . 10.0 113.559 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -97.55 -34.72 10.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.815 1.246 . . . . 10.0 112.442 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -24.58 -60.74 0.06 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.849 2.86 . . . . 10.0 118.426 -168.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 t -87.36 -29.15 21.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.529 0.937 . . . . 10.0 113.529 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.89 -37.99 37.28 Favored Glycine 0 N--CA 1.47 0.924 0 O-C-N 121.242 -0.911 . . . . 10.0 111.385 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.09 -39.67 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.753 0 C-N-CA 123.998 0.919 . . . . 10.0 110.591 169.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.81 -24.82 62.62 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.514 0.931 . . . . 10.0 113.514 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.4 -26.12 64.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.156 1.343 . . . . 10.0 112.443 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.68 -41.5 17.67 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.996 0.918 . . . . 10.0 112.914 169.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -59.45 -46.41 88.85 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 127.203 2.201 . . . . 10.0 111.492 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.2 -44.94 79.95 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.527 1.131 . . . . 10.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.19 -51.6 69.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.19 1.396 . . . . 10.0 114.581 172.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.95 -37.4 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 119.628 1.103 . . . . 10.0 110.98 177.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 m -69.43 -28.19 65.92 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.934 0.894 . . . . 10.0 111.273 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.97 -28.7 43.62 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 120.838 -1.164 . . . . 10.0 111.106 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.54 90.25 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.657 -1.277 . . . . 10.0 109.537 167.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.85 -29.64 68.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.716 1.606 . . . . 10.0 113.252 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -30.82 67.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.26 1.845 . . . . 10.0 109.32 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -76.73 -44.43 33.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.067 1.347 . . . . 10.0 111.438 169.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.3 -19.81 61.61 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.997 -1.064 . . . . 10.0 111.751 -175.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.34 -23.45 37.77 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.828 1.651 . . . . 10.0 110.406 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.83 -51.85 8.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.667 2.387 . . . . 10.0 116.206 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.7 tttt -140.82 48.56 1.35 Allowed Pre-proline 0 N--CA 1.489 1.505 0 C-N-CA 127.254 2.222 . . . . 10.0 110.024 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.574 6.9 Cg_exo -16.67 -90.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 2 N-CA-C 123.987 4.572 . . . . 10.0 123.987 -165.399 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.5 p -75.1 9.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 119.753 1.161 . . . . 10.0 114.057 -169.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -48.66 107.79 0.82 Allowed Pre-proline 0 N--CA 1.469 0.476 0 N-CA-C 106.22 -1.77 . . . . 10.0 106.22 167.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.23 -23.95 38.46 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 N-CA-C 114.731 1.012 . . . . 10.0 114.731 -167.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -42.52 94.5 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.085 0.857 . . . . 10.0 111.917 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.57 -43.86 19.94 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.303 1.223 . . . . 10.0 114.303 170.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.69 -34.66 78.35 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.832 -1.168 . . . . 10.0 109.793 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.44 -29.13 56.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 120.786 -1.196 . . . . 10.0 111.839 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.23 83.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.274 -0.891 . . . . 10.0 111.423 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.8 t80 -61.07 -55.3 34.26 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 124.122 0.969 . . . . 10.0 111.609 171.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.774 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.0 pp0? -65.67 -25.98 67.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 121.785 0.802 . . . . 10.0 111.276 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -65.83 -50.13 65.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 124.579 1.152 . . . . 10.0 111.2 169.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.29 -37.69 83.82 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.168 0.987 . . . . 10.0 112.52 -178.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -53.58 -35.97 61.41 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 129.675 3.19 . . . . 10.0 110.637 168.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.19 -42.62 23.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.268 0.84 . . . . 10.0 113.268 170.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -58.63 -34.44 71.19 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.289 0.949 . . . . 10.0 112.331 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -34.58 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.692 1.197 . . . . 10.0 111.058 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -74.68 -25.86 59.45 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.039 0.536 . . . . 10.0 112.416 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.96 -38.55 69.75 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.112 1.765 . . . . 10.0 111.536 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 -54.99 -44.16 74.23 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 168.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -39.31 93.93 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 126.976 2.111 . . . . 10.0 112.845 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.73 -44.16 86.83 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.448 1.499 . . . . 10.0 111.024 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.23 -43.79 97.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.105 1.762 . . . . 10.0 111.442 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -79.15 25.75 0.29 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.455 1.502 . . . . 10.0 113.537 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.2 t -141.05 18.12 2.28 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.247 3.019 . . . . 10.0 109.669 168.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -122.32 -51.32 1.98 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 127.478 2.311 . . . . 10.0 110.333 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -49.81 -43.05 48.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.708 2.003 . . . . 10.0 113.645 169.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.1 -28.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 130.535 3.534 . . . . 10.0 113.588 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -115.06 15.96 17.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 130.447 3.499 . . . . 10.0 112.404 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.8 t -115.8 -33.22 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 129.493 3.117 . . . . 10.0 110.258 173.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -64.94 -20.19 66.34 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -63.49 -35.54 80.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.438 1.895 . . . . 10.0 110.716 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.63 -33.48 60.5 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.554 1.542 . . . . 10.0 113.152 172.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.98 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 122.268 1.033 . . . . 10.0 111.138 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.2 -32.88 74.79 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 120.326 -1.484 . . . . 10.0 113.484 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -29.54 70.52 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.757 -1.215 . . . . 10.0 111.466 169.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.81 -34.13 69.1 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.803 -1.185 . . . . 10.0 112.26 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.69 -37.84 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.719 1.208 . . . . 10.0 110.805 170.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.03 -42.4 90.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.654 1.581 . . . . 10.0 111.798 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -66.63 -4.61 9.12 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 169.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -114.81 6.97 15.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.348 2.259 . . . . 10.0 112.349 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.12 -24.67 63.18 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.838 1.655 . . . . 10.0 115.186 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -143.0 152.15 41.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.503 1.121 . . . . 10.0 112.012 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -79.14 -6.72 57.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.919 1.452 . . . . 10.0 114.919 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -149.06 157.66 43.58 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.33 1.452 . . . . 10.0 111.597 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.905 1.682 . . . . 10.0 111.062 179.742 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpt . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.59 159.61 16.74 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.859 1.314 . . . . 10.0 113.054 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -85.71 153.49 58.12 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 112.781 -2.008 . . . . 10.0 108.007 167.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.55 -39.75 89.21 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 N-CA-C 116.386 1.649 . . . . 10.0 116.386 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.5 m-90 -150.71 -61.46 0.19 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -50.0 -22.64 1.65 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 118.947 2.943 . . . . 10.0 118.947 -168.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.36 1.5 82.23 Favored Glycine 0 CA--C 1.539 1.58 0 CA-C-N 119.828 1.195 . . . . 10.0 114.842 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -143.02 -40.1 0.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.867 2.067 . . . . 10.0 113.569 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.46 -42.83 67.59 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.102 1.761 . . . . 10.0 114.18 -169.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.33 -25.84 59.99 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -172.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -97.51 -41.62 8.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.022 0.929 . . . . 10.0 113.014 169.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.95 -47.46 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 125.407 1.483 . . . . 10.0 112.19 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -64.45 -47.57 78.54 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 124.758 1.223 . . . . 10.0 111.804 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.13 -32.57 72.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 119.284 -0.966 . . . . 10.0 112.371 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -66.11 -40.21 90.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 126.81 2.044 . . . . 10.0 112.295 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -18.33 60.69 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 115.72 1.748 . . . . 10.0 115.72 177.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -35.92 -39.13 0.15 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 118.552 2.797 . . . . 10.0 118.552 -168.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -105.31 -25.06 12.56 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 -40.73 69.49 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 120.685 -1.259 . . . . 10.0 111.271 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.96 -37.1 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 125.374 1.47 . . . . 10.0 111.594 169.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 8.1 t70 -74.05 -22.61 59.48 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.527 0.936 . . . . 10.0 113.527 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.6 -27.09 64.8 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 120.054 1.297 . . . . 10.0 110.818 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.75 -45.35 17.2 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 170.035 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 72.5 tp60 -54.43 -48.04 72.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.116 1.766 . . . . 10.0 111.971 172.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -57.71 -43.88 85.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.406 1.003 . . . . 10.0 110.012 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.73 -52.36 65.76 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.203 1.401 . . . . 10.0 114.318 170.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.01 -37.5 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.785 1.175 . . . . 10.0 111.463 177.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -70.52 -27.68 64.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.035 0.934 . . . . 10.0 111.048 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -79.04 -28.84 43.28 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 120.972 -1.08 . . . . 10.0 111.201 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.9 92.5 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.618 -1.301 . . . . 10.0 109.562 167.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.71 -29.57 68.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.704 1.602 . . . . 10.0 113.076 169.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.57 -31.86 68.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 121.402 1.91 . . . . 10.0 109.228 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -75.36 -44.26 46.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.913 1.285 . . . . 10.0 111.336 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.65 -19.82 61.37 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.051 -1.031 . . . . 10.0 111.88 -175.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.72 -23.17 36.92 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 125.885 1.674 . . . . 10.0 110.315 169.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.78 -52.24 7.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.684 2.394 . . . . 10.0 116.184 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HB3' HD21 ' A' ' 43' ' ' LEU . 63.3 tttt -140.44 48.28 1.37 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 127.205 2.202 . . . . 10.0 110.007 -175.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.6 Cg_exo -16.37 -90.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 2 N-CA-C 123.975 4.567 . . . . 10.0 123.975 -165.56 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.06 9.43 1.97 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.001 1.111 . . . . 10.0 114.001 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.73 107.72 0.81 Allowed Pre-proline 0 C--N 1.347 0.473 0 N-CA-C 106.147 -1.797 . . . . 10.0 106.147 167.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.05 -24.38 39.03 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 N-CA-C 114.884 1.071 . . . . 10.0 114.884 -167.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.01 93.99 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.018 0.827 . . . . 10.0 112.008 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.58 -43.53 20.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.17 -35.03 79.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.776 1.171 . . . . 10.0 109.893 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.85 -27.66 55.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.805 1.184 . . . . 10.0 111.891 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.25 80.66 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.475 -0.766 . . . . 10.0 111.125 169.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.428 ' CB ' HD12 ' A' ' 34' ' ' LEU . 49.2 t80 -60.86 -54.95 38.8 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.158 -0.964 . . . . 10.0 111.71 170.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.9 pp0? -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.86 0.838 . . . . 10.0 111.066 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -66.45 -49.6 66.15 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.575 1.15 . . . . 10.0 111.27 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.76 -38.18 83.1 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.692 1.197 . . . . 10.0 112.63 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.31 -36.34 61.14 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 129.479 3.111 . . . . 10.0 110.457 168.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -80.11 -42.38 23.67 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.216 0.821 . . . . 10.0 113.216 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -57.74 -35.41 70.67 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.699 1.136 . . . . 10.0 112.25 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -33.42 74.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.798 1.239 . . . . 10.0 111.305 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -78.02 -22.63 48.94 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.371 0.669 . . . . 10.0 112.695 169.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -74.3 -38.88 63.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.707 2.003 . . . . 10.0 111.245 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.1 t80 -54.63 -42.39 71.16 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.454 1.121 . . . . 10.0 108.196 168.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -66.23 -39.26 89.45 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.296 2.638 . . . . 10.0 113.308 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -66.1 -42.1 89.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.776 1.63 . . . . 10.0 111.18 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.899 1.68 . . . . 10.0 110.369 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -79.29 30.66 0.22 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 123.508 1.623 . . . . 10.0 113.773 168.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 t -142.29 12.75 1.98 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 129.996 3.318 . . . . 10.0 110.505 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -123.07 -48.71 1.98 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 127.918 2.487 . . . . 10.0 111.117 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.3 t -55.47 -35.96 66.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.279 1.831 . . . . 10.0 113.358 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.8 t -53.48 -32.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 129.899 3.28 . . . . 10.0 112.819 170.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -101.23 11.38 39.47 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 129.857 3.263 . . . . 10.0 112.797 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -116.63 -33.47 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 129.196 2.998 . . . . 10.0 111.298 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.08 -25.93 65.78 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 167.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.13 -31.29 61.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.647 2.779 . . . . 10.0 112.194 167.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.02 -32.04 50.85 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.85 1.66 . . . . 10.0 113.647 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.75 -44.04 86.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-O 122.237 1.018 . . . . 10.0 108.888 169.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.48 -31.74 72.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 124.588 1.155 . . . . 10.0 113.108 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.74 73.01 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.09 -1.006 . . . . 10.0 111.044 168.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.38 71.76 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.855 -1.153 . . . . 10.0 112.427 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.98 -37.9 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.195 0.998 . . . . 10.0 110.317 169.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.75 -45.21 92.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.138 1.375 . . . . 10.0 111.884 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.78 -38.51 82.04 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.119 0.872 . . . . 10.0 112.607 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.96 -43.24 99.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.787 0.835 . . . . 10.0 112.058 173.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -56.03 -38.02 69.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.754 1.222 . . . . 10.0 113.722 -171.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -55.47 -14.96 2.26 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.276 1.584 . . . . 10.0 115.276 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -16.75 6.39 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.366 1.617 . . . . 10.0 115.366 173.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -77.29 -15.78 59.28 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.066 1.346 . . . . 10.0 113.214 -178.49 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.315 0.117 . . . . 10.0 111.315 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.23 157.3 26.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.523 1.63 . . . . 10.0 114.872 176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 19.0 p -88.0 151.83 50.01 Favored Pre-proline 0 N--CA 1.443 -0.82 0 CA-C-N 111.94 -2.391 . . . . 10.0 107.714 167.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 53.1 Cg_exo -54.54 -28.51 55.56 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 N-CA-C 117.813 2.197 . . . . 10.0 117.813 -168.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -142.54 -2.62 1.07 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -108.83 -3.17 17.89 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.259 0.936 . . . . 10.0 113.355 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.77 -37.36 0.36 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.511 1.529 . . . . 10.0 112.494 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.6 -50.03 72.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.234 1.017 . . . . 10.0 111.924 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.17 -41.17 78.74 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.96 0.904 . . . . 10.0 111.709 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.14 -5.44 6.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.769 1.227 . . . . 10.0 113.907 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -107.29 -35.68 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.434 1.494 . . . . 10.0 112.068 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.28 -56.11 10.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 125.738 1.615 . . . . 10.0 111.948 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.9 t -63.7 -37.3 86.85 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.663 1.185 . . . . 10.0 111.742 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.71 74.9 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 4.6 ptmt -58.55 -17.29 20.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.24 1.416 . . . . 10.0 113.844 174.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CD2' ' HG2' ' A' ' 15' ' ' LYS . 40.8 m-85 -114.85 4.3 14.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 10.0 115.496 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.67 -15.9 22.73 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.817 1.784 . . . . 10.0 115.817 -169.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -97.14 -30.44 13.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.203 1.401 . . . . 10.0 114.157 171.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.58 -43.03 38.15 Favored Glycine 0 N--CA 1.473 1.133 0 O-C-N 120.664 -1.272 . . . . 10.0 111.799 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 57' ' ' TYR . 8.9 p -58.13 -37.09 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 C-N-CA 124.399 1.08 . . . . 10.0 111.865 169.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.79 -20.01 61.92 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 113.77 1.026 . . . . 10.0 113.77 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.29 -26.49 63.83 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.371 1.442 . . . . 10.0 110.341 167.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.35 -46.04 16.74 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.505 0.722 . . . . 10.0 112.302 169.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.06 -47.17 81.62 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.385 1.474 . . . . 10.0 112.014 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -56.88 -45.22 82.67 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.441 1.097 . . . . 10.0 109.845 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -58.36 -51.77 68.39 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.23 1.412 . . . . 10.0 114.247 173.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.61 -37.88 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.113 0.87 . . . . 10.0 111.066 177.279 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 m -68.91 -28.0 66.28 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 123.58 0.752 . . . . 10.0 111.305 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.677 -1.264 . . . . 10.0 111.126 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.62 90.94 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.669 -1.269 . . . . 10.0 109.553 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -68.57 -29.83 68.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.624 1.57 . . . . 10.0 113.228 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.73 -31.28 68.16 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.232 1.833 . . . . 10.0 109.225 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -76.28 -44.28 37.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.906 1.282 . . . . 10.0 111.494 169.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.3 -19.65 61.64 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.076 -1.015 . . . . 10.0 111.876 -175.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.97 -23.21 36.2 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 125.997 1.719 . . . . 10.0 110.411 169.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.75 -51.57 8.5 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.683 2.393 . . . . 10.0 116.33 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 40.4 tttm -140.81 46.67 0.95 Allowed Pre-proline 0 N--CA 1.49 1.566 0 C-N-CA 127.298 2.239 . . . . 10.0 110.26 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.587 6.4 Cg_exo -14.66 -92.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.173 2 N-CA-C 123.943 4.555 . . . . 10.0 123.943 -165.43 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.4 p -74.34 9.23 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.645 1.111 . . . . 10.0 113.982 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -48.36 107.31 0.73 Allowed Pre-proline 0 C--N 1.347 0.491 0 N-CA-C 106.296 -1.742 . . . . 10.0 106.296 167.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.68 -24.61 41.06 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 N-CA-C 114.737 1.014 . . . . 10.0 114.737 -167.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.51 95.96 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.087 0.858 . . . . 10.0 112.076 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.63 19.82 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 170.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.47 -34.56 78.03 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.627 1.103 . . . . 10.0 109.622 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.68 -27.65 55.63 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 120.747 -1.221 . . . . 10.0 111.973 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.6 -35.38 78.87 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.368 -0.832 . . . . 10.0 111.321 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' CB ' HD12 ' A' ' 34' ' ' LEU . 55.2 t80 -61.82 -54.79 37.34 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 124.057 0.943 . . . . 10.0 111.728 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.779 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.6 pp0? -64.74 -26.57 68.42 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.667 0.746 . . . . 10.0 111.293 -177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -65.91 -48.04 72.76 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.411 1.085 . . . . 10.0 111.846 169.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -69.73 -36.99 76.35 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.024 0.929 . . . . 10.0 112.607 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.61 -41.81 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 128.802 2.841 . . . . 10.0 109.304 168.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.7 m -72.58 -42.0 65.06 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -61.36 -35.1 76.51 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.183 0.901 . . . . 10.0 112.339 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -70.93 -36.7 72.75 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.927 0.891 . . . . 10.0 109.779 175.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -25.21 64.77 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 169.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.12 -41.3 64.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.257 2.223 . . . . 10.0 110.617 169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CD2' HG23 ' A' ' 20' ' ' VAL . 22.9 t80 -54.55 -41.65 70.03 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 107.677 -1.231 . . . . 10.0 107.677 168.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.91 74.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.27 2.228 . . . . 10.0 114.158 174.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -65.58 -44.94 85.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.659 1.584 . . . . 10.0 110.489 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.74 99.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.381 1.872 . . . . 10.0 111.355 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.08 35.2 0.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 123.823 1.773 . . . . 10.0 113.836 169.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 t -144.32 9.37 1.42 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.243 3.417 . . . . 10.0 110.226 168.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -116.47 -50.86 2.62 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 127.714 2.406 . . . . 10.0 110.51 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -56.84 -35.66 69.09 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 10.0 114.147 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' H ' HG23 ' A' ' 65' ' ' VAL . 3.0 t -57.12 -47.67 83.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 128.202 2.601 . . . . 10.0 111.073 171.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.73 7.11 3.29 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 129.084 2.953 . . . . 10.0 113.361 172.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -115.97 -35.9 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 128.623 2.769 . . . . 10.0 111.286 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -66.34 -20.59 66.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 107.015 -1.476 . . . . 10.0 107.015 166.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -35.85 79.82 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.213 -1.554 . . . . 10.0 110.185 166.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.99 -34.44 64.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.366 1.466 . . . . 10.0 113.265 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -42.58 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 122.032 0.92 . . . . 10.0 111.115 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.92 -33.76 76.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 120.453 -1.404 . . . . 10.0 113.45 171.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.82 -6.79 13.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.992 1.317 . . . . 10.0 113.361 169.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.54 -32.88 9.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.07 2.148 . . . . 10.0 110.914 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.35 -34.58 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.044 0.938 . . . . 10.0 108.913 168.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.01 -35.1 32.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 128.571 2.748 . . . . 10.0 112.768 169.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -91.68 2.86 56.19 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.276 2.231 . . . . 10.0 113.182 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -119.08 -27.91 5.61 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.626 1.97 . . . . 10.0 112.731 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.0 136.39 52.07 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.786 2.034 . . . . 10.0 113.942 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -145.39 18.7 1.54 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.295 1.438 . . . . 10.0 112.22 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -90.7 15.43 11.1 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.1 1.36 . . . . 10.0 112.891 -175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -61.13 162.35 7.45 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.657 1.583 . . . . 10.0 113.731 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.21 1.804 . . . . 10.0 110.991 177.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.46 161.85 41.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 123.311 1.529 . . . . 10.0 113.235 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -78.14 156.94 78.98 Favored Pre-proline 0 N--CA 1.443 -0.808 0 CA-C-N 112.109 -2.314 . . . . 10.0 107.316 166.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.08 -22.63 48.32 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 N-CA-C 118.249 2.365 . . . . 10.0 118.249 -169.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -136.62 -27.26 1.05 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -62.33 -21.83 65.58 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.696 1.589 . . . . 10.0 114.319 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.51 -2.05 82.76 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.93 1.252 . . . . 10.0 115.263 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -144.08 8.12 1.42 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.517 1.527 . . . . 10.0 114.032 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -51.22 -44.47 61.64 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.507 1.923 . . . . 10.0 113.176 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -71.51 11.95 0.41 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.537 1.31 . . . . 10.0 114.537 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -122.19 -46.79 2.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.573 1.949 . . . . 10.0 109.582 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.2 -43.73 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 125.91 1.684 . . . . 10.0 113.262 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.2 t -79.16 -38.84 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.827 0.851 . . . . 10.0 111.102 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.34 -22.95 64.65 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.526 0.935 . . . . 10.0 113.526 -173.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.518 1.127 . . . . 10.0 111.802 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -46.45 63.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.892 1.277 . . . . 10.0 111.153 170.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.41 -21.1 66.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.808 1.411 . . . . 10.0 114.808 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -98.84 -30.83 12.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.604 1.162 . . . . 10.0 113.539 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.89 83.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 120.974 -1.079 . . . . 10.0 112.382 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG23 ' CD2' ' A' ' 57' ' ' TYR . 1.7 p -59.32 -39.33 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 C-N-CA 124.997 1.319 . . . . 10.0 112.065 170.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -70.37 -21.97 62.81 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.373 0.879 . . . . 10.0 113.373 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -69.61 -27.63 65.25 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.231 1.378 . . . . 10.0 111.374 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -79.98 -44.6 19.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.498 0.719 . . . . 10.0 111.664 169.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -58.0 -46.98 84.36 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 125.218 1.407 . . . . 10.0 112.072 176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -57.51 -46.01 84.29 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.586 1.154 . . . . 10.0 109.843 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 14.4 mt-30 -58.95 -49.42 77.9 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.548 1.539 . . . . 10.0 114.826 174.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 50' ' ' LYS . 1.1 m -66.95 -36.66 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 120.797 -1.189 . . . . 10.0 112.052 174.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -66.69 -27.52 67.72 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.08 0.552 . . . . 10.0 110.907 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.66 -28.7 40.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.015 -1.053 . . . . 10.0 111.583 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.62 97.31 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.553 -1.342 . . . . 10.0 108.993 167.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.25 -30.17 70.55 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.272 1.429 . . . . 10.0 112.911 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.43 -34.27 72.29 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 121.769 2.077 . . . . 10.0 109.374 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.6 -43.47 69.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.192 0.997 . . . . 10.0 111.144 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -20.25 60.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.316 1.055 . . . . 10.0 111.787 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -23.15 38.91 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 126.025 1.73 . . . . 10.0 109.928 169.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.63 5.41 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.117 2.567 . . . . 10.0 116.543 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' A' ' 43' ' ' LEU . 66.1 tttt -138.16 49.13 2.3 Favored Pre-proline 0 N--CA 1.491 1.596 0 C-N-CA 127.477 2.311 . . . . 10.0 109.847 -176.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -16.89 -89.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.265 2 N-CA-C 123.88 4.531 . . . . 10.0 123.88 -165.501 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -76.33 10.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -169.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.52 107.58 0.81 Allowed Pre-proline 0 C--N 1.348 0.528 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 167.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -67.17 -24.06 44.88 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 N-CA-C 115.704 1.386 . . . . 10.0 115.704 -166.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.1 75.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.945 0.793 . . . . 10.0 112.397 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.4 pp -80.05 -42.0 24.59 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.147 0.885 . . . . 10.0 112.792 170.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.44 -44.96 93.04 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.673 -1.156 . . . . 10.0 108.995 -179.502 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -75.33 -19.84 59.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 121.828 2.104 . . . . 10.0 112.123 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.43 79.7 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.303 0.956 . . . . 10.0 109.436 167.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -61.85 -51.86 66.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 118.67 -0.681 . . . . 10.0 109.641 168.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HA ' HD13 ' A' ' 51' ' ' LEU . 43.6 mm-40 -55.54 -31.47 62.14 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.248 1.019 . . . . 10.0 112.288 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 t -76.0 -48.79 19.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.908 1.283 . . . . 10.0 112.009 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HE2' ' HB3' ' A' ' 26' ' ' GLN . 26.6 mmmt -66.47 -36.0 81.68 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -49.35 -40.78 36.76 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 128.738 2.815 . . . . 10.0 110.283 168.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -80.34 -38.61 30.21 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 114.984 1.475 . . . . 10.0 114.984 171.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.52 -30.68 68.76 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.591 1.541 . . . . 10.0 112.086 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -39.29 75.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.06 -1.025 . . . . 10.0 110.703 175.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.99 -24.22 60.74 Favored 'General case' 0 CA--C 1.554 1.107 0 O-C-N 121.453 -0.779 . . . . 10.0 112.492 169.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -35.59 67.05 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 126.043 1.737 . . . . 10.0 111.521 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' CD2' HG23 ' A' ' 20' ' ' VAL . 4.8 t80 -56.15 -43.42 78.25 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 168.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.26 96.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.565 2.346 . . . . 10.0 111.672 174.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.35 -44.8 86.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.437 1.495 . . . . 10.0 112.049 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.58 92.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.631 1.973 . . . . 10.0 110.579 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HA ' HG22 ' A' ' 64' ' ' THR . 1.2 tp-100 -77.01 25.74 0.15 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.488 1.915 . . . . 10.0 114.11 169.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 t -145.28 21.86 1.53 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.236 3.014 . . . . 10.0 110.173 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -131.59 -49.2 0.97 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 127.874 2.47 . . . . 10.0 110.315 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.8 t -51.0 -41.22 59.62 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.829 2.052 . . . . 10.0 113.209 169.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -51.82 -25.92 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 131.028 3.731 . . . . 10.0 113.941 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -121.6 12.37 10.71 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.56 3.544 . . . . 10.0 111.618 -174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 64' ' ' THR . 3.5 t -115.46 -32.45 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 C-N-CA 130.299 3.44 . . . . 10.0 110.378 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -55.14 -34.64 63.93 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 107.876 -1.157 . . . . 10.0 107.876 167.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.38 -36.47 66.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 129.973 3.309 . . . . 10.0 113.221 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.51 -33.84 47.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.969 1.707 . . . . 10.0 113.122 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.03 -44.08 99.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 169.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.55 -34.24 77.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.54 1.136 . . . . 10.0 113.358 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.68 72.93 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.033 -1.042 . . . . 10.0 111.17 168.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.09 62.62 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.495 1.118 . . . . 10.0 112.832 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.48 -43.92 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.885 -1.134 . . . . 10.0 109.393 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.03 -44.03 78.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.896 1.679 . . . . 10.0 111.495 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.59 -36.32 83.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.505 1.522 . . . . 10.0 113.15 173.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -70.03 -36.84 75.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.698 1.599 . . . . 10.0 112.882 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.96 154.92 28.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.753 1.221 . . . . 10.0 112.406 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -54.81 132.38 46.03 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.608 0.763 . . . . 10.0 111.617 170.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -155.64 -45.64 0.08 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.458 1.103 . . . . 10.0 112.508 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -134.24 -17.43 2.08 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 10.0 113.613 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 127.006 2.122 . . . . 10.0 110.767 -176.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 120.333 0.111 . . . . 10.0 111.293 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.86 157.98 43.96 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 123.172 1.463 . . . . 10.0 112.918 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p -79.54 148.07 69.05 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 112.484 -2.143 . . . . 10.0 109.264 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.22 131.11 29.15 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 120.649 0.899 . . . . 10.0 113.39 -170.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -57.13 -32.11 66.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.749 1.219 . . . . 10.0 113.177 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -61.63 -21.35 64.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.404 1.482 . . . . 10.0 114.576 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.87 -5.19 68.62 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.273 1.416 . . . . 10.0 114.483 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.81 8.83 3.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.179 2.192 . . . . 10.0 113.028 -175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.23 -42.37 73.3 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.55 1.54 . . . . 10.0 113.061 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.38 7.75 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -117.51 -53.96 2.4 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.2 1.8 . . . . 10.0 108.51 168.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.93 -37.77 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 126.603 1.961 . . . . 10.0 113.315 -172.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -84.52 -43.3 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.57 0.748 . . . . 10.0 111.386 170.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.98 72.64 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -170.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -54.84 -10.41 0.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.573 3.549 . . . . 10.0 115.674 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -134.74 -23.07 1.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.356 2.262 . . . . 10.0 113.795 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -26.11 -69.32 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 129.243 3.017 . . . . 10.0 117.861 -168.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -72.41 -30.59 64.78 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 -169.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.81 -39.98 12.86 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 121.582 -0.699 . . . . 10.0 111.491 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -40.48 54.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 118.723 -0.656 . . . . 10.0 110.173 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.69 -26.39 65.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -69.22 -25.49 64.34 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 120.18 1.355 . . . . 10.0 112.798 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -84.89 -41.65 15.77 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.123 0.969 . . . . 10.0 112.856 170.115 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -59.28 -46.22 89.12 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 127.834 2.454 . . . . 10.0 111.334 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -56.22 -45.46 79.91 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.568 1.147 . . . . 10.0 109.542 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -59.3 -51.63 69.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 10.0 114.511 172.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.2 -37.33 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.528 1.058 . . . . 10.0 110.939 177.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 m -69.7 -28.35 65.76 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 123.974 0.909 . . . . 10.0 111.343 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -78.85 -28.96 44.33 Favored 'General case' 0 N--CA 1.443 -0.819 0 O-C-N 120.798 -1.189 . . . . 10.0 111.106 173.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.38 90.77 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.636 -1.29 . . . . 10.0 109.664 167.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.01 -30.23 68.57 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.919 1.687 . . . . 10.0 113.282 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.34 -30.36 66.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 121.105 1.775 . . . . 10.0 109.317 171.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -77.17 -44.42 30.27 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.909 1.284 . . . . 10.0 111.581 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -72.82 -20.26 61.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.944 -1.097 . . . . 10.0 111.643 -175.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.43 -23.51 40.25 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 125.595 1.558 . . . . 10.0 110.178 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.82 -56.6 4.02 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.505 2.322 . . . . 10.0 115.893 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -136.52 70.91 59.8 Favored Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 126.679 1.992 . . . . 10.0 109.058 177.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.429 3.5 Cg_exo -37.38 -77.52 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.293 3.92 . . . . 10.0 122.293 -166.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -82.41 12.39 4.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.857 -1.152 . . . . 10.0 113.533 -171.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.2 108.87 1.22 Allowed Pre-proline 0 N--CA 1.47 0.547 0 N-CA-C 105.509 -2.034 . . . . 10.0 105.509 167.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.61 -23.6 36.51 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 CA-C-N 119.806 0.966 . . . . 10.0 114.487 -167.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.46 94.62 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 0.841 . . . . 10.0 112.044 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.52 -43.25 21.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 171.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -65.42 -34.36 78.11 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.694 1.134 . . . . 10.0 109.964 -179.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.42 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 119.834 1.197 . . . . 10.0 111.56 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.49 87.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.218 -0.926 . . . . 10.0 111.339 169.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' HD12 ' A' ' 34' ' ' LEU . 59.0 t80 -60.15 -55.11 37.83 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 124.049 0.94 . . . . 10.0 111.661 170.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' A' ' 51' ' ' LEU 0.261 0.0 OUTLIER -66.42 -23.74 66.35 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.109 0.88 . . . . 10.0 111.209 -175.641 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t -66.41 -52.08 50.33 Favored 'General case' 0 N--CA 1.461 0.088 0 C-N-CA 125.19 1.396 . . . . 10.0 110.798 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -66.43 -37.37 85.03 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 124.838 1.255 . . . . 10.0 112.479 -177.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -53.6 -36.46 61.99 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.663 3.185 . . . . 10.0 110.82 168.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -80.17 -42.11 24.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 113.304 0.853 . . . . 10.0 113.304 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -58.63 -34.52 71.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.202 0.91 . . . . 10.0 112.346 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -34.35 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.658 1.183 . . . . 10.0 111.022 176.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -25.71 59.89 Favored 'General case' 0 CA--C 1.551 0.994 0 O-C-N 121.71 -0.619 . . . . 10.0 112.551 169.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.0 -38.64 69.6 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.065 1.746 . . . . 10.0 111.273 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 17.4 t80 -55.46 -44.26 76.24 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 168.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -39.67 94.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.723 2.009 . . . . 10.0 112.684 175.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -65.65 -43.72 88.57 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.616 1.566 . . . . 10.0 111.233 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.02 99.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.075 1.75 . . . . 10.0 111.175 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 tp60 -78.36 27.37 0.2 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 123.629 1.68 . . . . 10.0 113.404 169.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -144.87 23.22 1.56 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 129.535 3.134 . . . . 10.0 109.704 168.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -130.35 -49.58 1.09 Allowed 'General case' 0 C--N 1.343 0.298 0 C-N-CA 127.699 2.4 . . . . 10.0 110.793 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 61' ' ' GLN . 13.0 t -51.06 -40.74 59.04 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.404 1.881 . . . . 10.0 113.825 169.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.51 -28.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 130.724 3.609 . . . . 10.0 113.477 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -115.75 13.18 16.12 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 130.263 3.425 . . . . 10.0 111.549 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 t -117.28 -35.17 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 C-N-CA 129.839 3.255 . . . . 10.0 110.434 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -64.49 -22.41 66.95 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.566 -1.272 . . . . 10.0 107.566 166.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -59.64 -37.85 79.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.811 1.644 . . . . 10.0 110.09 167.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -32.87 49.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.105 1.762 . . . . 10.0 112.809 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -42.87 92.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.94 0.876 . . . . 10.0 110.41 169.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.96 -34.42 78.38 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 120.499 -1.376 . . . . 10.0 113.521 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -19.92 65.88 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.294 -0.879 . . . . 10.0 112.286 169.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.86 -35.92 25.86 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.635 1.174 . . . . 10.0 111.346 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.1 -39.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.386 1.074 . . . . 10.0 110.05 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.31 -43.57 71.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.629 2.372 . . . . 10.0 112.263 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.27 -46.85 59.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.955 1.302 . . . . 10.0 111.758 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -54.87 -33.1 61.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.824 1.25 . . . . 10.0 113.436 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -51.7 -27.88 13.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.783 1.633 . . . . 10.0 114.821 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -103.04 3.1 35.73 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -143.35 18.84 1.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -58.82 -30.69 67.83 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.4 1.48 . . . . 10.0 113.871 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.5 m80 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.865 2.066 . . . . 10.0 111.182 175.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 118.981 -0.533 . . . . 10.0 110.354 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.87 162.95 37.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 123.205 1.479 . . . . 10.0 113.665 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p -85.95 164.94 37.1 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 112.212 -2.267 . . . . 10.0 106.252 166.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.28 -10.58 8.75 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 121.664 1.576 . . . . 10.0 116.063 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -118.53 -26.33 6.22 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 116.131 1.901 . . . . 10.0 116.131 172.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -69.78 -23.7 63.39 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 122.065 2.212 . . . . 10.0 114.041 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.28 -4.28 74.37 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.791 1.186 . . . . 10.0 114.859 177.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -141.33 13.3 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.531 2.333 . . . . 10.0 112.279 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 13' ' ' SER . 58.2 tp -41.75 -55.97 2.82 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 127.761 2.424 . . . . 10.0 115.948 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.31 5.07 6.06 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -170.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -119.69 -31.73 4.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.417 1.487 . . . . 10.0 112.241 169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.16 -65.54 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 125.236 1.414 . . . . 10.0 110.723 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 9' ' ' LEU . 33.4 t -59.69 -34.69 73.2 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.729 1.212 . . . . 10.0 112.441 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.65 76.74 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.224 0.824 . . . . 10.0 113.224 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -14.93 33.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.97 2.108 . . . . 10.0 114.087 173.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -123.67 6.07 8.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.003 2.521 . . . . 10.0 114.073 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.34 -16.31 8.57 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 116.629 2.085 . . . . 10.0 116.629 -168.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -104.09 -20.2 13.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.11 1.364 . . . . 10.0 114.592 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.76 -40.4 6.3 Favored Glycine 0 N--CA 1.476 1.322 0 O-C-N 121.278 -0.888 . . . . 10.0 111.282 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -56.18 -36.28 45.17 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 C-N-CA 124.383 1.073 . . . . 10.0 110.912 168.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 15.9 t70 -68.46 -20.18 64.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 124.364 1.065 . . . . 10.0 113.66 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.3 -27.63 64.54 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 120.213 1.37 . . . . 10.0 111.288 168.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.78 -45.76 16.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.618 0.767 . . . . 10.0 112.117 169.656 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 2.6 tp-100 -57.19 -45.06 84.08 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.486 1.515 . . . . 10.0 112.003 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -58.26 -45.21 88.26 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.253 1.021 . . . . 10.0 110.07 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.37 -52.38 65.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.138 1.375 . . . . 10.0 113.833 172.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.13 -37.67 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 119.29 0.95 . . . . 10.0 111.307 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.8 m -69.14 -28.15 66.19 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 123.49 0.716 . . . . 10.0 111.31 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.98 -28.73 43.56 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.803 -1.185 . . . . 10.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.94 91.58 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.734 -1.229 . . . . 10.0 109.515 167.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.42 -30.13 68.96 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.647 1.579 . . . . 10.0 113.243 169.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -31.17 67.86 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.2 1.818 . . . . 10.0 109.203 171.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -76.12 -44.12 40.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.755 1.222 . . . . 10.0 111.504 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.31 -20.4 60.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.958 -1.089 . . . . 10.0 111.748 -174.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.47 40.55 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.678 1.591 . . . . 10.0 110.028 169.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -56.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.54 2.336 . . . . 10.0 115.984 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.28 69.02 62.41 Favored Pre-proline 0 N--CA 1.485 1.294 0 C-N-CA 126.819 2.047 . . . . 10.0 109.407 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.44 5.0 Cg_exo -36.09 -78.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.454 0 N-CA-C 122.403 3.963 . . . . 10.0 122.403 -166.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.4 p -82.1 12.17 4.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 119.882 1.219 . . . . 10.0 113.431 -170.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.93 108.66 1.15 Allowed Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 167.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.58 -23.61 36.66 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 CA-C-N 119.826 0.974 . . . . 10.0 114.363 -167.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.28 94.82 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.144 0.884 . . . . 10.0 112.067 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.3 pp -80.49 -43.78 20.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.196 1.184 . . . . 10.0 114.196 170.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.96 -34.54 78.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.721 1.146 . . . . 10.0 109.897 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.42 53.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.72 1.145 . . . . 10.0 111.712 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.79 81.77 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.392 -0.818 . . . . 10.0 111.124 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CB ' HD12 ' A' ' 34' ' ' LEU . 53.1 t80 -60.56 -54.85 40.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 121.211 -0.93 . . . . 10.0 111.596 170.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.759 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.3 pp0? -65.92 -25.4 67.12 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 124.075 0.859 . . . . 10.0 110.809 -176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -66.17 -48.69 69.92 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.744 1.218 . . . . 10.0 111.62 169.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -68.47 -36.52 79.09 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.726 1.21 . . . . 10.0 112.581 -178.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -54.76 -39.15 68.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.184 2.994 . . . . 10.0 110.079 168.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -76.29 -39.32 54.53 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 169.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.28 -35.01 76.13 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.266 1.393 . . . . 10.0 112.253 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -70.39 -38.41 74.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.209 1.004 . . . . 10.0 109.891 176.08 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -65.63 -28.25 68.98 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.286 1.034 . . . . 10.0 112.391 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -73.69 -40.01 63.95 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 127.547 2.339 . . . . 10.0 111.715 169.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.9 t80 -55.08 -45.24 75.39 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 169.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -37.42 87.19 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.04 2.536 . . . . 10.0 112.81 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.24 -43.83 77.02 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.677 1.591 . . . . 10.0 110.965 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.25 97.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.189 1.795 . . . . 10.0 110.695 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.52 25.49 0.25 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.97 2.108 . . . . 10.0 113.307 168.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 t -146.35 24.39 1.27 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.977 2.911 . . . . 10.0 108.94 168.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -126.1 -52.29 1.53 Allowed 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 127.973 2.509 . . . . 10.0 110.117 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -49.93 -43.04 49.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.716 2.006 . . . . 10.0 114.374 169.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.72 -30.78 22.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 130.037 3.335 . . . . 10.0 113.115 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -106.79 14.54 26.62 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 130.115 3.366 . . . . 10.0 112.437 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -116.88 -36.23 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 128.726 2.81 . . . . 10.0 110.91 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -61.72 -31.02 71.15 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 107.448 -1.316 . . . . 10.0 107.448 166.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -59.41 -26.97 65.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 128.32 2.648 . . . . 10.0 112.408 167.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.48 -32.84 54.54 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.484 1.514 . . . . 10.0 113.423 174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 mp -67.14 -44.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-O 122.269 1.033 . . . . 10.0 109.271 169.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.85 -31.12 71.52 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.817 1.247 . . . . 10.0 113.2 173.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.37 68.87 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.565 -1.335 . . . . 10.0 110.982 169.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' ILE . . . -67.95 -36.45 80.13 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.617 -1.302 . . . . 10.0 111.361 169.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.7 -40.2 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.003 1.321 . . . . 10.0 110.628 171.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.01 97.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.879 1.671 . . . . 10.0 111.713 173.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.9 -37.09 83.33 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.396 -0.815 . . . . 10.0 112.368 169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.39 -21.87 64.67 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.683 1.193 . . . . 10.0 113.595 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -74.09 -11.79 60.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.738 1.615 . . . . 10.0 113.92 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -57.21 143.43 39.23 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.881 -1.137 . . . . 10.0 113.225 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -135.58 138.95 43.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.449 1.899 . . . . 10.0 109.058 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -65.43 133.47 51.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.265 0.626 . . . . 10.0 112.119 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.675 1.59 . . . . 10.0 111.602 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 ttm . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 110.516 -0.179 . . . . 10.0 110.516 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.99 161.72 40.79 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 123.481 1.61 . . . . 10.0 114.418 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 p -91.11 155.85 44.43 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 111.884 -2.416 . . . . 10.0 108.553 167.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -65.21 100.74 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.898 1.732 . . . . 10.0 112.522 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p90 -55.65 -46.07 77.55 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.285 1.834 . . . . 10.0 114.775 -169.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -63.94 -5.78 5.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.02 21.58 5.52 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.067 1.794 . . . . 10.0 114.199 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -149.91 -35.4 0.17 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.411 1.484 . . . . 10.0 114.255 -178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.26 -36.21 63.35 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 127.217 2.207 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.65 -32.06 64.98 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.322 1.23 . . . . 10.0 114.322 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.42 -36.22 20.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.262 0.838 . . . . 10.0 113.262 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.11 -54.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.109 1.763 . . . . 10.0 111.584 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 t -65.91 -34.17 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.863 1.265 . . . . 10.0 112.017 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.07 67.22 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -58.7 -37.34 75.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 10.0 112.109 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.17 -52.18 44.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.668 1.187 . . . . 10.0 109.013 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.3 -27.34 68.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.412 1.634 . . . . 10.0 115.412 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -93.65 -31.24 14.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.174 0.989 . . . . 10.0 113.554 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -40.66 34.86 Favored Glycine 0 N--CA 1.469 0.887 0 O-C-N 121.18 -0.95 . . . . 10.0 111.96 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -40.25 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.012 0 C-N-CA 123.88 0.872 . . . . 10.0 111.269 169.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 11.6 t70 -67.27 -24.34 65.78 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 113.552 0.945 . . . . 10.0 113.552 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -69.81 -28.35 65.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.04 1.291 . . . . 10.0 112.657 169.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.81 -45.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.418 0.687 . . . . 10.0 112.504 169.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 21' ' ' ASP . 46.3 tp60 -54.6 -47.31 73.54 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 126.874 2.07 . . . . 10.0 111.594 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -58.36 -45.41 88.26 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.268 1.027 . . . . 10.0 109.984 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.48 -52.25 66.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.278 1.431 . . . . 10.0 114.236 171.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.93 -37.23 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.563 1.074 . . . . 10.0 111.303 178.007 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.64 -28.2 65.7 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.739 0.816 . . . . 10.0 111.147 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -28.76 49.74 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 120.872 -1.142 . . . . 10.0 111.219 174.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.0 90.36 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.61 -1.306 . . . . 10.0 109.777 167.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -68.08 -29.95 69.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.591 1.556 . . . . 10.0 113.32 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.97 -30.08 67.66 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.043 1.747 . . . . 10.0 109.314 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -77.6 -44.46 28.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.238 1.415 . . . . 10.0 111.423 169.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -72.16 -19.77 61.71 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 120.972 -1.08 . . . . 10.0 111.796 -175.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.43 36.66 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.961 1.705 . . . . 10.0 110.469 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.87 -51.35 8.69 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.604 2.361 . . . . 10.0 116.1 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 64.6 tttt -141.42 48.18 1.17 Allowed Pre-proline 0 N--CA 1.49 1.526 0 C-N-CA 127.236 2.214 . . . . 10.0 110.058 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.575 6.8 Cg_exo -16.44 -90.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 2 N-CA-C 123.942 4.555 . . . . 10.0 123.942 -165.402 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -75.5 10.13 1.84 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 119.687 1.131 . . . . 10.0 113.931 -169.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.31 108.02 0.89 Allowed Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 167.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.31 -24.62 37.19 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 N-CA-C 114.679 0.992 . . . . 10.0 114.679 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.72 95.79 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.084 0.856 . . . . 10.0 112.048 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.78 -43.86 19.47 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 170.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.92 -34.85 78.89 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.782 1.174 . . . . 10.0 109.74 -179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 48' ' ' GLN . . . -76.88 -26.91 54.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.811 -1.18 . . . . 10.0 111.974 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.14 80.59 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.504 -0.747 . . . . 10.0 111.129 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.0 t80 -59.9 -54.57 44.56 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.044 0.938 . . . . 10.0 111.627 170.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.767 ' HA ' HD13 ' A' ' 51' ' ' LEU . 2.9 pp0? -65.76 -24.01 66.85 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.731 0.777 . . . . 10.0 111.334 -176.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.5 t -66.35 -50.96 61.8 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.591 1.157 . . . . 10.0 111.298 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -67.78 -36.38 80.37 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.914 1.286 . . . . 10.0 112.688 -178.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.41 -38.76 66.61 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 129.048 2.939 . . . . 10.0 110.09 168.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -76.07 -42.61 46.94 Favored 'General case' 0 C--O 1.226 -0.157 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 171.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.43 -34.52 72.6 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.169 0.895 . . . . 10.0 112.487 175.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -36.34 74.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.849 0.86 . . . . 10.0 110.279 176.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -24.57 63.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 169.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.05 -41.64 63.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.74 2.016 . . . . 10.0 110.808 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.7 t80 -53.71 -42.01 67.59 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 168.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -33.89 73.07 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 127.017 2.127 . . . . 10.0 114.016 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.29 -46.14 81.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.962 1.305 . . . . 10.0 110.05 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 64' ' ' THR . . . -62.74 -46.8 86.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.218 1.807 . . . . 10.0 111.807 169.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HA ' HG22 ' A' ' 64' ' ' THR . 10.8 tp60 -84.23 40.93 0.8 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 124.179 1.942 . . . . 10.0 113.978 172.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 t -140.15 -41.2 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 130.411 3.485 . . . . 10.0 107.697 168.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.29 -50.62 72.95 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.801 1.64 . . . . 10.0 113.46 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 60' ' ' ALA . 11.4 t -62.72 -37.91 88.38 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.283 2.233 . . . . 10.0 115.378 176.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 127.586 2.355 . . . . 10.0 109.613 174.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -70.86 4.81 2.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.29 3.036 . . . . 10.0 114.035 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 69' ' ' LYS . 6.8 t -114.58 -35.15 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.539 2.736 . . . . 10.0 110.838 176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.08 15.39 1.15 Allowed 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 122.595 1.188 . . . . 10.0 109.146 166.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 67' ' ' VAL . 11.3 tmtt? -111.74 -29.96 7.5 Favored 'General case' 0 C--O 1.22 -0.467 1 C-N-CA 134.241 5.016 . . . . 10.0 109.734 169.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 -33.49 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.637 1.108 . . . . 10.0 111.512 169.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -24.66 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 126.181 1.793 . . . . 10.0 114.296 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -103.56 -28.21 11.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.764 2.426 . . . . 10.0 111.599 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.08 -32.64 72.29 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.671 1.188 . . . . 10.0 109.261 167.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.25 -28.32 69.94 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.689 1.995 . . . . 10.0 112.873 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -83.09 -35.06 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 126.397 1.879 . . . . 10.0 110.775 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.71 -38.87 86.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.299 1.44 . . . . 10.0 110.458 169.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -65.8 0.38 1.79 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 126.44 1.896 . . . . 10.0 113.223 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -129.27 9.55 5.66 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 127.988 2.515 . . . . 10.0 112.566 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.25 0.52 0.63 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 117.614 2.449 . . . . 10.0 117.614 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -63.01 -12.42 25.81 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 116.72 2.118 . . . . 10.0 116.72 -169.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -65.89 160.25 23.75 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.441 1.019 . . . . 10.0 112.694 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -61.57 150.09 37.12 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.219 1.007 . . . . 10.0 112.995 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.961 1.704 . . . . 10.0 111.385 177.361 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.486 1.371 0 N-CA-C 110.477 -0.194 . . . . 10.0 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.46 158.88 43.23 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 123.275 1.512 . . . . 10.0 112.949 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 10.7 p -79.57 149.69 71.95 Favored Pre-proline 0 N--CA 1.446 -0.666 0 CA-C-N 112.244 -2.253 . . . . 10.0 108.573 167.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 23.4 Cg_exo -61.61 152.96 70.31 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 C-N-CA 120.817 1.011 . . . . 10.0 113.767 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -51.1 -39.99 57.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.769 1.227 . . . . 10.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 p -64.02 -14.9 57.68 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.776 1.398 . . . . 10.0 114.776 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 3.12 58.49 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.997 1.76 . . . . 10.0 114.503 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -135.44 -13.01 2.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.646 1.978 . . . . 10.0 113.118 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.5 tp -48.68 -46.02 39.75 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.253 2.221 . . . . 10.0 113.187 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -75.56 21.16 0.15 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.923 1.289 . . . . 10.0 114.11 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -131.21 -40.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.894 2.077 . . . . 10.0 110.266 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.09 -50.84 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.711 1.604 . . . . 10.0 112.799 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -78.98 -38.27 37.26 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 124.854 1.262 . . . . 10.0 111.335 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.35 65.24 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -50.92 -38.23 48.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.918 0.887 . . . . 10.0 111.427 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -58.79 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.863 1.265 . . . . 10.0 111.185 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.23 -22.6 66.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -169.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.28 -32.51 11.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.394 1.078 . . . . 10.0 112.916 171.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.79 -43.47 93.96 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 121.046 -1.034 . . . . 10.0 111.962 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG23 ' CD2' ' A' ' 57' ' ' TYR . 1.3 p -58.68 -42.09 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 C-N-CA 124.636 1.174 . . . . 10.0 111.712 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -25.63 61.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.379 0.881 . . . . 10.0 113.379 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -67.75 -26.66 66.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 120.378 1.445 . . . . 10.0 110.816 168.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.27 -46.08 16.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 170.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -56.22 -47.25 78.79 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.506 1.923 . . . . 10.0 111.905 175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -58.66 -45.02 90.26 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.647 1.179 . . . . 10.0 109.939 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -57.56 -52.1 66.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.986 1.314 . . . . 10.0 113.816 172.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.1 -38.25 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 119.144 0.884 . . . . 10.0 110.977 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m -68.17 -27.33 66.32 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.472 0.709 . . . . 10.0 111.216 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.65 -29.21 40.86 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.003 -1.06 . . . . 10.0 111.328 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.95 95.29 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.649 -1.282 . . . . 10.0 109.179 167.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.16 -29.57 68.48 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.449 1.5 . . . . 10.0 113.3 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.09 -32.43 69.81 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 121.488 1.949 . . . . 10.0 109.145 171.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -74.0 -44.6 54.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.467 1.107 . . . . 10.0 111.263 169.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.37 -19.77 61.57 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.038 -1.039 . . . . 10.0 111.878 -174.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.62 -23.2 37.17 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.762 1.625 . . . . 10.0 110.344 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.88 8.12 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.792 2.437 . . . . 10.0 116.244 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HD21 ' A' ' 43' ' ' LEU . 65.0 tttt -140.93 48.32 1.28 Allowed Pre-proline 0 N--CA 1.49 1.56 0 C-N-CA 127.151 2.18 . . . . 10.0 110.007 -176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.576 6.9 Cg_exo -15.89 -90.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 2 N-CA-C 123.934 4.552 . . . . 10.0 123.934 -165.56 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -75.59 10.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.726 1.148 . . . . 10.0 113.937 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.8 107.59 0.79 Allowed Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.09 -23.49 46.03 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 115.819 1.431 . . . . 10.0 115.819 -166.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.98 75.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.895 0.771 . . . . 10.0 112.293 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.3 pp -80.14 -41.97 24.39 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.032 0.833 . . . . 10.0 112.978 170.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.96 -44.91 94.76 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 117.755 -1.117 . . . . 10.0 108.616 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.55 -19.83 60.79 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 122.173 2.26 . . . . 10.0 112.45 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.55 78.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.241 0.928 . . . . 10.0 109.868 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.99 -51.51 68.95 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 121.371 -0.831 . . . . 10.0 109.747 168.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HA ' HD13 ' A' ' 51' ' ' LEU . 15.1 mm100 -55.12 -32.05 61.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.388 1.075 . . . . 10.0 112.276 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.23 -47.25 36.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.298 1.039 . . . . 10.0 112.544 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -69.25 -35.21 75.88 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 124.099 0.959 . . . . 10.0 112.028 -178.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.61 -42.0 67.26 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 129.063 2.945 . . . . 10.0 109.596 168.325 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.4 m -73.03 -43.94 61.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.899 0.88 . . . . 10.0 112.916 172.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.06 -33.45 73.34 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.328 0.967 . . . . 10.0 112.578 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -36.03 75.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.997 -1.064 . . . . 10.0 109.779 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.96 -25.68 64.67 Favored 'General case' 0 CA--C 1.554 1.118 0 O-C-N 121.792 -0.568 . . . . 10.0 112.087 169.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.02 -40.51 68.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.256 1.822 . . . . 10.0 110.678 169.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD2' HG23 ' A' ' 20' ' ' VAL . 20.4 t80 -54.78 -40.46 69.45 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.66 73.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.487 2.315 . . . . 10.0 114.101 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -65.72 -42.68 90.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.529 1.531 . . . . 10.0 110.75 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' HG22 ' A' ' 64' ' ' THR . . . -64.55 -43.11 94.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.379 1.471 . . . . 10.0 111.144 169.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.48 41.58 0.63 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 124.237 1.97 . . . . 10.0 114.091 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t -141.09 -41.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 130.636 3.574 . . . . 10.0 107.743 168.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.77 -45.81 92.88 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.931 1.692 . . . . 10.0 114.609 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 60' ' ' ALA . 9.0 t -68.77 -36.31 78.15 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.817 2.047 . . . . 10.0 115.274 175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.3 t -59.77 -45.69 94.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 127.341 2.256 . . . . 10.0 109.421 172.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -68.78 3.73 1.79 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.001 2.92 . . . . 10.0 114.265 169.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 t -116.31 -35.8 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 128.841 2.856 . . . . 10.0 111.619 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -65.29 -21.65 66.74 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.825 -1.546 . . . . 10.0 106.825 166.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -35.87 77.81 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.135 1.774 . . . . 10.0 110.583 167.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -75.38 -33.88 61.07 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.548 1.539 . . . . 10.0 113.518 173.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.9 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 122.34 1.067 . . . . 10.0 111.278 169.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.76 -33.05 75.06 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.22 -1.55 . . . . 10.0 113.213 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.08 -8.06 14.84 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.838 1.255 . . . . 10.0 113.265 169.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.37 -33.99 9.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.081 2.153 . . . . 10.0 111.385 169.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.64 -34.32 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.153 0.981 . . . . 10.0 109.676 168.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.62 -44.67 18.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.722 2.809 . . . . 10.0 111.892 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -82.41 5.41 20.51 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.167 2.187 . . . . 10.0 114.017 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -129.59 -31.89 1.97 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.451 1.5 . . . . 10.0 114.42 -169.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -54.89 -19.95 7.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 118.402 2.742 . . . . 10.0 118.402 -169.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -142.48 -32.12 0.5 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 -173.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -103.91 -0.83 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.807 1.04 . . . . 10.0 113.807 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -143.04 13.12 1.84 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.452 1.101 . . . . 10.0 113.47 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.112 1.765 . . . . 10.0 111.527 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 110.331 -0.248 . . . . 10.0 110.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.22 157.13 29.71 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 123.282 1.515 . . . . 10.0 114.056 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -84.47 149.18 54.17 Favored Pre-proline 0 N--CA 1.446 -0.633 0 CA-C-N 112.523 -2.126 . . . . 10.0 109.071 168.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.78 135.5 56.48 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 120.611 0.874 . . . . 10.0 114.241 -169.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.76 -3.28 14.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.481 1.512 . . . . 10.0 114.382 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -50.16 -22.93 1.88 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 116.896 2.184 . . . . 10.0 116.896 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.1 -1.43 90.33 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 124.891 1.234 . . . . 10.0 115.393 174.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.89 -31.15 0.56 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.749 2.02 . . . . 10.0 113.52 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.2 tp -42.52 -48.83 5.38 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 128.699 2.8 . . . . 10.0 113.683 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.25 14.2 0.47 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.19 1.396 . . . . 10.0 114.313 -170.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -139.34 6.88 2.35 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.416 1.486 . . . . 10.0 113.037 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -116.36 -56.25 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 127.094 2.158 . . . . 10.0 110.086 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.9 t -72.02 -44.61 63.13 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.255 1.422 . . . . 10.0 111.828 171.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.05 70.46 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.138 -0.976 . . . . 10.0 112.764 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -63.81 -18.92 64.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.823 2.049 . . . . 10.0 113.214 169.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.95 -23.32 13.36 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.618 1.967 . . . . 10.0 114.766 175.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -40.48 -46.13 2.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 118.42 2.748 . . . . 10.0 118.42 -168.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -86.72 -31.42 20.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.53 0.937 . . . . 10.0 113.53 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.4 -41.11 21.7 Favored Glycine 0 N--CA 1.468 0.831 0 O-C-N 121.329 -0.857 . . . . 10.0 111.375 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -39.77 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 C-N-CA 124.178 0.991 . . . . 10.0 110.567 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.88 -25.8 62.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.758 1.022 . . . . 10.0 113.758 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.42 -27.2 65.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 120.25 1.386 . . . . 10.0 112.029 169.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.9 -43.86 19.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.789 0.836 . . . . 10.0 112.755 169.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -58.32 -46.6 85.87 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 126.799 2.04 . . . . 10.0 111.615 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 t -56.74 -46.39 81.4 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.624 1.17 . . . . 10.0 109.596 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.2 mt-30 -57.53 -51.74 68.24 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.175 1.39 . . . . 10.0 114.52 172.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.1 m -65.06 -38.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 119.511 1.05 . . . . 10.0 111.132 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 m -67.57 -27.76 67.21 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.545 0.738 . . . . 10.0 111.035 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.47 -28.0 46.4 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.846 -1.159 . . . . 10.0 111.392 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.72 89.53 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.46 -1.4 . . . . 10.0 109.27 167.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.24 -29.89 69.65 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.42 1.488 . . . . 10.0 113.387 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.83 -31.68 68.7 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 121.19 1.813 . . . . 10.0 109.277 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -75.74 -44.19 42.99 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.947 1.299 . . . . 10.0 111.25 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -20.04 61.47 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 122.285 1.041 . . . . 10.0 111.795 -175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.88 -23.09 39.26 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.829 1.652 . . . . 10.0 110.445 169.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.03 -53.27 6.56 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.827 2.451 . . . . 10.0 116.322 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' HD21 ' A' ' 43' ' ' LEU . 17.3 ttmm -139.75 49.31 1.89 Allowed Pre-proline 0 N--CA 1.493 1.714 0 C-N-CA 127.442 2.297 . . . . 10.0 109.565 -175.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.57 6.1 Cg_exo -17.14 -90.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 2 N-CA-C 123.813 4.505 . . . . 10.0 123.813 -165.61 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.1 p -75.99 10.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.608 1.094 . . . . 10.0 113.763 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -49.07 106.5 0.63 Allowed Pre-proline 0 C--N 1.348 0.526 0 N-CA-C 106.012 -1.847 . . . . 10.0 106.012 167.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -65.79 -24.17 54.7 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 N-CA-C 115.975 1.49 . . . . 10.0 115.975 -166.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.19 -40.13 78.27 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.87 0.759 . . . . 10.0 112.555 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 37' ' ' LYS . 2.2 pp -80.26 -42.37 23.3 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 10.0 113.019 170.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.78 -44.25 96.68 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 117.732 -1.128 . . . . 10.0 108.589 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -73.64 -19.81 60.75 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 122.217 2.281 . . . . 10.0 112.585 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.57 76.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.315 0.962 . . . . 10.0 109.776 168.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.92 -51.94 66.08 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.631 0.772 . . . . 10.0 109.506 168.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HA ' HD13 ' A' ' 51' ' ' LEU . 14.5 mm100 -54.31 -31.34 53.86 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.533 1.133 . . . . 10.0 112.43 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -74.5 -50.01 19.87 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.245 1.018 . . . . 10.0 112.563 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.47 -34.73 77.77 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.915 0.886 . . . . 10.0 112.099 -179.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -53.43 -41.51 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 129.036 2.934 . . . . 10.0 110.072 168.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 m -74.68 -42.87 57.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -59.85 -35.42 74.72 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.184 0.902 . . . . 10.0 112.592 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -35.83 77.34 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.246 1.018 . . . . 10.0 110.431 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -72.23 -24.49 61.39 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 169.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.55 -40.82 66.4 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.587 1.955 . . . . 10.0 111.257 169.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 2.6 t80 -53.67 -41.3 66.72 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 168.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -33.49 71.25 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 127.651 2.38 . . . . 10.0 114.426 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -65.72 -44.12 87.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.415 1.486 . . . . 10.0 110.096 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.46 86.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.995 1.718 . . . . 10.0 111.579 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.0 tp60 -82.51 38.72 0.57 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.742 1.734 . . . . 10.0 114.071 169.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.2 t -139.32 -36.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 130.314 3.446 . . . . 10.0 108.537 168.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.87 -53.06 60.97 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.542 1.537 . . . . 10.0 113.378 173.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 61' ' ' GLN . 11.1 t -59.82 -36.8 77.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.854 2.062 . . . . 10.0 114.896 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.2 t -61.62 -47.82 91.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 C-N-CA 127.656 2.382 . . . . 10.0 109.783 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -69.47 5.12 1.46 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 128.046 2.538 . . . . 10.0 114.038 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 t -114.64 -35.97 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 128.429 2.691 . . . . 10.0 111.526 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -66.92 -24.37 66.08 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 106.79 -1.559 . . . . 10.0 106.79 166.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -59.29 -36.56 75.8 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.319 -1.488 . . . . 10.0 109.794 166.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.81 -29.54 56.02 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.965 1.706 . . . . 10.0 113.134 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -70.59 -45.37 74.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 123.147 0.579 . . . . 10.0 110.184 169.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.51 -30.61 70.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.728 1.611 . . . . 10.0 113.564 171.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.63 -27.48 68.69 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 120.6 -1.312 . . . . 10.0 111.471 169.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' ILE . . . -73.2 -37.64 66.38 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.099 1.36 . . . . 10.0 112.193 169.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.65 -40.72 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.46 . . . . 10.0 110.585 170.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.25 -47.55 75.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.825 1.65 . . . . 10.0 111.383 173.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.8 4.82 1.01 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.02 1.728 . . . . 10.0 114.76 171.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -126.77 -1.34 6.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.002 2.121 . . . . 10.0 112.727 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -143.73 52.39 1.32 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.395 1.078 . . . . 10.0 112.768 -169.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -72.17 50.53 0.22 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.941 1.696 . . . . 10.0 113.399 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -69.73 -6.77 34.07 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.631 1.715 . . . . 10.0 115.631 -172.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -62.13 148.54 44.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.744 1.218 . . . . 10.0 113.309 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.501 1.921 . . . . 10.0 111.304 177.194 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.27 161.67 41.07 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.379 1.561 . . . . 10.0 114.463 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 15.5 p -87.55 154.22 53.51 Favored Pre-proline 0 N--CA 1.448 -0.555 0 CA-C-N 111.987 -2.37 . . . . 10.0 108.342 167.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 31.2 Cg_exo -60.16 103.28 0.2 Allowed 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 121.576 1.517 . . . . 10.0 116.017 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -72.72 -6.98 48.24 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.31 2.244 . . . . 10.0 114.263 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -56.68 -20.86 23.82 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.61 1.707 . . . . 10.0 115.61 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.53 0.5 68.08 Favored Glycine 0 CA--C 1.542 1.739 0 C-N-CA 125.127 1.346 . . . . 10.0 115.259 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -138.88 -12.74 1.26 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.242 2.217 . . . . 10.0 114.212 -169.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.84 -53.13 27.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.555 2.342 . . . . 10.0 114.604 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.48 16.49 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.865 1.431 . . . . 10.0 114.865 -169.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -130.89 -35.75 1.4 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.961 1.704 . . . . 10.0 111.823 169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.83 -50.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 126.391 1.876 . . . . 10.0 112.4 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -78.88 -39.08 36.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 125.477 1.511 . . . . 10.0 111.952 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -29.93 71.11 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.133 -0.979 . . . . 10.0 112.836 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.65 -16.83 52.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.895 2.478 . . . . 10.0 113.697 169.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -22.93 9.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.144 2.178 . . . . 10.0 114.5 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -38.66 -62.17 0.64 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.826 2.45 . . . . 10.0 116.874 -168.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 t -72.83 -28.27 62.44 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.308 -0.87 . . . . 10.0 113.153 -169.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.98 -41.26 7.66 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 123.751 0.691 . . . . 10.0 111.773 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -55.3 -40.12 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.806 0 C-N-CA 123.31 0.644 . . . . 10.0 110.37 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.48 -28.24 69.07 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.445 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.83 -24.86 63.52 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.452 1.478 . . . . 10.0 113.634 169.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -87.88 -47.22 8.75 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.81 0.844 . . . . 10.0 113.103 173.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -54.44 -46.8 73.34 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 126.788 2.035 . . . . 10.0 111.82 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -53.95 -45.29 71.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.886 1.675 . . . . 10.0 110.078 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.1 mt-30 -60.58 -52.51 64.86 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.516 1.526 . . . . 10.0 114.639 173.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.9 -36.8 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 119.56 1.073 . . . . 10.0 111.004 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 m -71.2 -28.02 63.92 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.372 1.069 . . . . 10.0 111.162 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.77 -29.24 44.97 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 121.005 -1.059 . . . . 10.0 111.006 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.77 92.18 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.645 -1.285 . . . . 10.0 109.644 167.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.08 -29.95 68.16 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.863 1.665 . . . . 10.0 113.19 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.47 -31.7 68.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.362 1.892 . . . . 10.0 109.104 171.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.51 -44.48 43.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.632 1.173 . . . . 10.0 111.55 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -73.11 -20.09 61.01 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.934 -1.104 . . . . 10.0 111.687 -174.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 -23.92 39.52 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.717 1.607 . . . . 10.0 110.06 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.88 -55.74 4.6 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.437 2.295 . . . . 10.0 115.933 175.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -136.85 68.33 57.98 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 126.766 2.027 . . . . 10.0 109.484 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.445 4.2 Cg_exo -35.09 -79.4 0.02 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.475 0 N-CA-C 122.489 3.996 . . . . 10.0 122.489 -166.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.6 p -82.0 12.45 4.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 119.876 1.216 . . . . 10.0 113.423 -170.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -52.82 108.87 1.2 Allowed Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 105.588 -2.004 . . . . 10.0 105.588 167.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.48 -23.76 37.08 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 CA-C-N 119.804 0.966 . . . . 10.0 114.479 -167.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.62 95.29 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.012 0.824 . . . . 10.0 112.081 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 37' ' ' LYS . 2.4 pp -80.51 -43.53 20.63 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.087 1.143 . . . . 10.0 114.087 171.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -64.89 -33.98 77.3 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.627 1.103 . . . . 10.0 109.923 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.05 -28.05 54.6 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 119.89 1.223 . . . . 10.0 111.83 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.14 81.72 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.391 -0.818 . . . . 10.0 111.333 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.416 ' CB ' HD12 ' A' ' 34' ' ' LEU . 56.7 t80 -60.72 -55.33 34.5 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 123.843 0.857 . . . . 10.0 111.497 170.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.772 ' HA ' HD13 ' A' ' 51' ' ' LEU . 1.7 pp0? -66.18 -24.2 66.59 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.864 0.84 . . . . 10.0 111.287 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -67.1 -50.99 59.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.913 1.285 . . . . 10.0 111.378 169.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -67.2 -36.53 81.93 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.464 1.106 . . . . 10.0 112.586 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.772 HD13 ' HA ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -54.09 -36.74 63.51 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.487 3.115 . . . . 10.0 110.577 168.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -78.13 -42.92 30.33 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 10.0 112.873 170.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.01 -32.74 69.98 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.099 0.863 . . . . 10.0 112.615 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.477 1.111 . . . . 10.0 111.21 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.2 -26.59 61.21 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.777 -0.577 . . . . 10.0 111.115 168.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.45 -37.16 71.42 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.78 1.632 . . . . 10.0 111.422 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD2' ' C ' ' A' ' 57' ' ' TYR . 7.2 t80 -54.87 -43.88 73.53 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 107.854 -1.165 . . . . 10.0 107.854 168.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -40.3 95.1 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.827 2.451 . . . . 10.0 112.896 175.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.83 -46.02 76.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.519 1.528 . . . . 10.0 111.6 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.9 89.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.812 1.645 . . . . 10.0 111.183 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 64' ' ' THR . 4.2 tp-100 -78.66 30.97 0.19 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.296 1.838 . . . . 10.0 114.5 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.1 t -143.43 13.63 1.78 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.584 3.153 . . . . 10.0 110.577 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -125.01 -48.18 1.76 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.11 2.564 . . . . 10.0 111.183 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' GLN . 15.2 t -56.53 -33.88 66.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 123.889 1.804 . . . . 10.0 113.576 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 65' ' ' VAL . 2.7 t -55.1 -37.61 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 129.251 3.02 . . . . 10.0 112.033 171.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -91.61 9.27 32.94 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.303 3.041 . . . . 10.0 112.912 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.7 t -117.08 -35.01 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 128.897 2.879 . . . . 10.0 111.37 177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.47 -21.38 66.65 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.647 -1.242 . . . . 10.0 107.647 166.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -59.24 -38.08 79.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.124 1.77 . . . . 10.0 110.01 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -30.33 40.87 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.585 1.954 . . . . 10.0 112.852 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -44.33 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-O 121.444 0.64 . . . . 10.0 109.934 169.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.21 -32.75 72.52 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.386 -1.446 . . . . 10.0 113.226 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.38 -24.41 67.36 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 120.693 -1.254 . . . . 10.0 112.0 169.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.22 -36.21 40.42 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.459 1.504 . . . . 10.0 112.059 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.9 -41.69 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.41 1.084 . . . . 10.0 109.223 169.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -57.63 -33.08 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.42 1.888 . . . . 10.0 113.502 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -77.47 -40.18 44.01 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.059 . . . . 10.0 112.4 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.49 -30.53 71.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.309 1.444 . . . . 10.0 113.217 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -128.59 39.06 3.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.266 1.826 . . . . 10.0 111.424 -171.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -71.09 42.99 0.07 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.565 1.946 . . . . 10.0 113.1 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -64.28 166.84 7.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.59 1.956 . . . . 10.0 113.562 -174.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -60.24 136.28 57.98 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.105 0.962 . . . . 10.0 112.256 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.681 1.993 . . . . 10.0 111.192 -179.17 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.507 0.194 . . . . 10.0 111.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.4 160.37 43.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 123.327 1.537 . . . . 10.0 112.956 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 p -76.15 152.82 84.3 Favored Pre-proline 0 N--CA 1.444 -0.774 0 CA-C-N 112.277 -2.238 . . . . 10.0 108.027 167.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.18 -20.93 70.07 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 N-CA-C 116.572 1.72 . . . . 10.0 116.572 -169.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -141.08 130.2 23.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.964 1.305 . . . . 10.0 111.528 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -152.27 -36.01 0.12 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.233 1.413 . . . . 10.0 112.544 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.96 26.66 18.54 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.835 1.684 . . . . 10.0 113.902 175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -146.06 -56.93 0.29 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.54 . . . . 10.0 112.266 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.48 -32.67 67.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.581 1.952 . . . . 10.0 112.924 174.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.69 3.17 1.51 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -123.06 2.03 9.26 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.014 1.726 . . . . 10.0 112.847 170.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.84 -49.4 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 127.801 2.44 . . . . 10.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.9 t -73.29 -39.15 65.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 123.698 0.799 . . . . 10.0 111.351 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.56 66.24 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.907 -1.121 . . . . 10.0 113.737 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.08 -45.92 75.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.251 1.42 . . . . 10.0 110.677 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -51.02 67.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.086 0.954 . . . . 10.0 110.554 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.79 -25.17 66.36 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.4 1.63 . . . . 10.0 115.4 -170.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -95.15 -27.1 15.73 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.835 1.05 . . . . 10.0 113.835 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 -40.28 14.84 Favored Glycine 0 N--CA 1.471 0.989 0 CA-C-N 118.892 0.769 . . . . 10.0 111.971 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -38.47 51.43 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 C-N-CA 124.024 0.93 . . . . 10.0 110.837 169.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.54 -22.86 65.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 113.906 1.076 . . . . 10.0 113.906 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -70.32 -27.74 64.62 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.407 1.458 . . . . 10.0 112.023 168.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.77 -44.84 17.96 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.509 0.724 . . . . 10.0 112.212 169.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -56.86 -46.44 81.79 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 126.55 1.94 . . . . 10.0 111.902 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -57.63 -45.99 84.73 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.166 0.987 . . . . 10.0 109.852 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.72 -51.13 71.26 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.238 1.415 . . . . 10.0 114.338 173.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.33 -38.46 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.296 0.953 . . . . 10.0 110.581 176.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.9 m -68.51 -27.54 66.21 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.598 -0.689 . . . . 10.0 111.323 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 -30.17 45.14 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.798 -1.189 . . . . 10.0 111.242 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.11 95.65 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.629 -1.294 . . . . 10.0 109.152 167.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.18 -30.26 70.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.548 1.539 . . . . 10.0 113.573 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -31.76 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 120.892 1.678 . . . . 10.0 109.307 172.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -75.82 -44.06 43.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.44 1.096 . . . . 10.0 110.714 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -73.5 -19.76 60.84 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.696 -1.252 . . . . 10.0 112.153 -172.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.54 -20.12 44.19 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 126.051 1.74 . . . . 10.0 110.195 169.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.72 -53.63 5.76 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.27 2.228 . . . . 10.0 115.614 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' HD21 ' A' ' 43' ' ' LEU . 61.3 tttt -141.35 48.03 1.15 Allowed Pre-proline 0 N--CA 1.488 1.446 0 C-N-CA 126.205 1.802 . . . . 10.0 111.104 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HB3' HD23 ' A' ' 34' ' ' LEU 0.446 2.9 Cg_exo -19.06 -93.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.516 -0.395 1 C-N-CA 126.81 5.007 . . . . 10.0 121.865 -166.85 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.327 15.1 p -75.09 26.36 0.09 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 121.223 1.829 . . . . 10.0 114.586 -173.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.98 92.82 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.177 1 N-CA-C 96.638 -5.319 . . . . 10.0 96.638 162.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.723 ' HA ' HD22 ' A' ' 44' ' ' LEU . 88.9 Cg_endo -67.06 -5.23 13.09 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 120.842 1.028 . . . . 10.0 113.716 -165.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.66 -51.84 8.74 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.63 1.172 . . . . 10.0 111.176 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.3 pp -67.98 -41.22 82.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.808 1.185 . . . . 10.0 109.838 168.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 ' N ' ' A' ' 45' ' ' ALA 0.359 0.2 OUTLIER -60.22 -46.15 90.76 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-O 117.104 -1.427 . . . . 10.0 107.91 178.505 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.859 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.3 -18.8 57.23 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 123.582 2.901 . . . . 10.0 109.286 -167.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.24 82.34 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 167.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 35.8 t80 -64.61 -54.35 33.32 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.147 -0.97 . . . . 10.0 109.981 168.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 51' ' ' LEU . 25.9 mm100 -55.15 -26.2 37.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.02 1.328 . . . . 10.0 111.599 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -77.65 -54.15 6.71 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.237 2.215 . . . . 10.0 112.826 171.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.32 -35.34 80.06 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.531 1.132 . . . . 10.0 112.384 -178.105 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -52.52 -42.77 64.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 130.287 3.435 . . . . 10.0 110.651 168.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -77.09 -42.04 39.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.969 0.907 . . . . 10.0 112.86 172.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.33 -31.75 69.46 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.67 0.788 . . . . 10.0 112.069 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -37.59 77.3 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.451 1.101 . . . . 10.0 110.611 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.41 -26.97 64.89 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 121.426 -0.797 . . . . 10.0 111.585 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.91 -35.53 69.71 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.369 -1.457 . . . . 10.0 111.286 169.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.3 t80 -56.6 -44.49 81.18 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.678 1.127 . . . . 10.0 107.966 168.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.9 92.04 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.189 2.195 . . . . 10.0 111.783 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -65.96 -45.93 79.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.491 1.516 . . . . 10.0 111.635 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.34 90.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.851 1.66 . . . . 10.0 110.744 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.7 tp60 -75.66 24.01 0.12 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.258 1.823 . . . . 10.0 115.054 169.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -141.09 12.26 2.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.46 2.704 . . . . 10.0 110.938 168.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -122.08 -49.07 2.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 127.942 2.497 . . . . 10.0 110.232 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 61' ' ' GLN . 14.9 t -49.34 -41.97 40.35 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.766 2.027 . . . . 10.0 112.786 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 65' ' ' VAL . 2.0 t -54.77 -25.37 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 131.045 3.738 . . . . 10.0 113.851 172.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -119.77 12.04 12.06 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.712 3.605 . . . . 10.0 112.157 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 69' ' ' LYS . 5.3 t -110.01 -27.98 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 129.302 3.041 . . . . 10.0 109.859 172.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -78.9 39.36 0.36 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 124.192 1.948 . . . . 10.0 109.888 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -148.89 -49.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.436 1 C-N-CA 135.471 5.508 . . . . 10.0 107.037 -169.871 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.5 -27.12 66.73 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.613 1.165 . . . . 10.0 110.813 167.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -43.53 90.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 C-N-CA 124.524 1.129 . . . . 10.0 110.65 169.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.15 -34.91 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.192 -0.942 . . . . 10.0 112.447 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.42 71.66 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.801 . . . . 10.0 111.02 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.52 71.19 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.046 -1.034 . . . . 10.0 112.549 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.25 -42.73 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.759 1.224 . . . . 10.0 110.632 171.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.28 -52.91 61.9 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.204 1.802 . . . . 10.0 111.739 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.35 -20.83 65.63 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -70.34 -1.1 9.53 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.635 1.574 . . . . 10.0 113.974 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 133.56 51.21 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.865 -1.147 . . . . 10.0 112.243 169.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -150.3 163.41 38.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.668 1.587 . . . . 10.0 111.387 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.27 -30.87 71.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.262 1.025 . . . . 10.0 113.126 171.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -149.47 138.83 21.48 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.93 1.692 . . . . 10.0 109.984 176.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.423 0 C-N-CA 124.304 1.042 . . . . 10.0 113.14 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.489 0.185 . . . . 10.0 110.504 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.18 160.38 43.89 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 123.133 1.444 . . . . 10.0 112.949 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 26.9 p -78.99 157.83 75.66 Favored Pre-proline 0 N--CA 1.444 -0.77 0 CA-C-N 112.336 -2.211 . . . . 10.0 107.599 167.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 53.2 Cg_exo -61.43 -4.15 3.98 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 118.193 2.344 . . . . 10.0 118.193 -170.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -17.31 3.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.345 1.609 . . . . 10.0 115.345 173.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -56.63 -26.89 57.17 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.026 1.739 . . . . 10.0 113.423 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 1.8 44.87 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 116.286 1.274 . . . . 10.0 116.286 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -148.08 -53.63 0.2 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.516 1.658 . . . . 10.0 113.921 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.34 -35.56 70.07 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.294 1.838 . . . . 10.0 112.533 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.6 3.51 1.36 Allowed 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -126.51 5.04 6.85 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.162 1.785 . . . . 10.0 112.788 170.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.84 -41.72 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 128.098 2.559 . . . . 10.0 111.812 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -80.75 -43.5 20.11 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.493 1.117 . . . . 10.0 111.016 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.9 66.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -49.34 -48.74 46.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.337 1.855 . . . . 10.0 110.913 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -53.12 42.16 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.345 1.058 . . . . 10.0 111.203 169.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.1 -25.08 66.71 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.701 1.741 . . . . 10.0 115.701 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -95.4 -33.62 12.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.045 0.938 . . . . 10.0 113.483 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.53 80.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 120.937 -1.102 . . . . 10.0 111.809 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -57.61 -40.69 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 C-N-CA 124.167 0.987 . . . . 10.0 111.451 169.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.45 -23.86 62.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.45 -27.1 64.95 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 120.096 1.316 . . . . 10.0 111.596 168.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -80.53 -45.45 17.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.174 0.59 . . . . 10.0 112.232 169.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -56.46 -47.15 79.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 126.551 1.94 . . . . 10.0 112.047 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 t -57.29 -46.06 83.5 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.434 1.094 . . . . 10.0 109.843 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 1.3 mt-30 -58.67 -51.5 69.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.446 1.498 . . . . 10.0 114.273 173.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -64.08 -38.77 83.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 119.336 0.971 . . . . 10.0 110.546 176.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -68.7 -27.26 65.8 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.466 -0.772 . . . . 10.0 111.401 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.94 -30.28 44.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.708 -1.245 . . . . 10.0 111.096 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.09 95.95 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.64 -1.288 . . . . 10.0 109.134 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.11 -31.0 71.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.793 1.637 . . . . 10.0 113.697 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -31.31 69.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.778 1.626 . . . . 10.0 109.427 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 21.4 mmtt -75.98 -41.98 49.69 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.328 1.051 . . . . 10.0 110.985 169.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -71.13 -39.62 71.89 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 120.33 -1.481 . . . . 10.0 110.711 -171.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.1 44.18 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.573 1.549 . . . . 10.0 111.244 169.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -81.96 -59.86 2.43 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.083 2.153 . . . . 10.0 115.774 169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.8 tmtt? -136.15 77.96 47.5 Favored Pre-proline 0 N--CA 1.488 1.441 0 C-N-CA 126.17 1.788 . . . . 10.0 108.951 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HB3' HD23 ' A' ' 34' ' ' LEU . 10.1 Cg_endo -63.06 -20.19 70.78 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 N-CA-C 121.369 3.565 . . . . 10.0 121.369 -166.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . 0.33 85.4 p -126.8 49.96 2.0 Allowed 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 125.095 2.379 . . . . 10.0 113.139 169.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.05 83.43 0.23 Allowed Pre-proline 0 N--CA 1.441 -0.885 1 N-CA-C 92.927 -6.694 . . . . 10.0 92.927 162.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HA ' HD22 ' A' ' 44' ' ' LEU . 74.4 Cg_endo -62.38 -4.44 5.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 121.494 1.463 . . . . 10.0 112.814 -167.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.14 5.79 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.81 1.644 . . . . 10.0 111.831 170.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 44' ' ' LEU . 3.2 pp -64.41 -41.5 96.59 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 120.906 1.685 . . . . 10.0 109.433 168.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 45' ' ' ALA 0.397 0.2 OUTLIER -61.71 -45.48 93.78 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.188 -1.386 . . . . 10.0 108.26 179.722 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.837 ' N ' HD23 ' A' ' 44' ' ' LEU . . . -77.08 -18.71 57.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 123.626 2.921 . . . . 10.0 108.842 -168.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.65 82.69 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 167.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 39.4 t80 -64.6 -54.2 35.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 121.172 -0.955 . . . . 10.0 109.792 168.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HA ' HD13 ' A' ' 51' ' ' LEU . 21.9 mm100 -55.31 -24.43 28.77 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.955 1.302 . . . . 10.0 111.572 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -79.79 -53.46 6.77 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 127.82 2.448 . . . . 10.0 113.028 171.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -63.9 -34.15 77.32 Favored 'General case' 0 C--O 1.22 -0.455 0 C-N-CA 124.623 1.169 . . . . 10.0 112.477 -178.433 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 48' ' ' GLN . 1.2 tt -53.0 -44.37 67.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 130.328 3.451 . . . . 10.0 110.391 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.4 m -75.47 -41.4 55.7 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -59.55 -33.51 71.5 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.255 0.934 . . . . 10.0 112.156 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -37.74 78.62 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.358 1.063 . . . . 10.0 110.389 175.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -26.17 64.93 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.472 -0.768 . . . . 10.0 112.302 169.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.12 -37.26 69.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.111 1.764 . . . . 10.0 111.313 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.437 ' C ' ' CD2' ' A' ' 57' ' ' TYR . 10.5 t80 -55.67 -44.59 77.42 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.835 -1.172 . . . . 10.0 107.835 168.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -39.66 92.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 127.601 2.361 . . . . 10.0 112.722 174.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -67.55 -43.42 80.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.255 1.422 . . . . 10.0 111.435 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' THR . . . -61.61 -40.49 95.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.818 1.647 . . . . 10.0 110.795 171.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.86 25.48 0.15 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.505 2.322 . . . . 10.0 113.362 168.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.0 t -147.52 23.58 1.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 129.02 2.928 . . . . 10.0 109.578 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.63 -51.27 1.26 Allowed 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 127.777 2.431 . . . . 10.0 110.049 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 60' ' ' ALA . 12.0 t -49.15 -44.41 42.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.686 1.995 . . . . 10.0 113.772 169.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.25 -26.82 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 130.64 3.576 . . . . 10.0 113.852 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -118.41 14.85 13.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 130.584 3.554 . . . . 10.0 111.988 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.82 -32.5 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 C-N-CA 129.693 3.197 . . . . 10.0 110.06 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -64.9 -22.32 66.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 107.184 -1.413 . . . . 10.0 107.184 166.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -64.74 -35.85 82.41 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.578 1.951 . . . . 10.0 111.093 167.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.32 -33.42 61.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.406 1.482 . . . . 10.0 113.272 171.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.15 -43.02 97.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.898 0.856 . . . . 10.0 110.811 169.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.41 -34.27 77.92 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.645 -1.284 . . . . 10.0 113.72 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.64 -30.74 70.9 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 120.749 -1.219 . . . . 10.0 111.785 169.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.21 -32.39 70.26 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.896 -1.128 . . . . 10.0 112.477 169.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.47 -40.27 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.543 1.137 . . . . 10.0 110.769 170.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.91 -42.1 88.83 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.589 1.556 . . . . 10.0 111.509 169.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.89 -0.54 3.14 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.882 1.673 . . . . 10.0 113.478 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -123.36 14.81 9.66 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.608 2.363 . . . . 10.0 112.618 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -58.38 -19.52 36.41 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.936 1.828 . . . . 10.0 115.936 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -53.72 136.16 40.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.611 1.164 . . . . 10.0 113.024 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -138.26 -6.06 1.6 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.17 1.174 . . . . 10.0 114.17 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -151.86 162.63 40.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.267 1.427 . . . . 10.0 111.336 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.2 m80 . . . . . 0 C--O 1.256 1.395 0 C-N-CA 126.301 1.841 . . . . 10.0 112.628 169.829 . . . . . . . . 0 0 . 1 stop_ save_