data_6sow_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6sow _Structure_validation_residue.Date_analyzed 2020-09-04 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 ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 120.289 0.09 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.76 -52.68 61.82 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.929 0.892 . . . . 0.0 112.121 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -61.46 -36.5 80.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.901 0.773 . . . . 0.0 112.529 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.27 -55.32 36.41 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.769 1.228 . . . . 0.0 111.475 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.3 75.21 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.28 -50.87 17.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.773 1.229 . . . . 0.0 109.037 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.83 -48.31 59.92 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 165.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.58 -41.55 99.01 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.753 0.821 . . . . 0.0 113.154 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.72 -35.99 57.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.93 0.892 . . . . 0.0 111.285 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.25 -32.52 73.95 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.392 1.077 . . . . 0.0 112.844 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -72.85 -17.99 61.49 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.643 1.177 . . . . 0.0 113.831 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.46 119.71 78.34 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.024 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.56 -35.37 0.58 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.408 2.739 . . . . 0.0 115.373 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -81.72 0.43 38.95 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.997 1.271 . . . . 0.0 113.125 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.56 142.61 35.55 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.644 1.577 . . . . 0.0 110.565 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -86.58 159.48 19.23 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.68 -2.37 1.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.54 1.936 . . . . 0.0 113.198 170.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.29 -49.52 3.34 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.572 1.949 . . . . 0.0 113.484 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -57.51 -44.25 84.88 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.164 1.386 . . . . 0.0 111.442 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.71 -53.47 38.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.026 1.33 . . . . 0.0 111.146 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -56.24 -38.24 70.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.43 1.492 . . . . 0.0 111.39 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.02 -30.79 74.41 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 119.627 1.103 . . . . 0.0 114.748 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.99 -48.83 7.47 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.12 -49.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.043 0.838 . . . . 0.0 112.28 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -55.16 -49.15 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.878 0.847 . . . . 0.0 111.502 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -60.33 -28.28 68.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.597 1.959 . . . . 0.0 113.874 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -42.71 78.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.787 2.035 . . . . 0.0 111.524 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.91 -37.92 83.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.667 0.787 . . . . 0.0 111.12 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -66.9 -47.33 72.13 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -137.57 70.86 52.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 125.738 1.615 . . . . 0.0 115.295 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.69 -20.15 68.49 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.543 2.162 . . . . 0.0 115.228 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -58.41 -26.94 63.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.731 1.212 . . . . 0.0 113.058 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m -102.02 20.67 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.155 1.382 . . . . 0.0 112.826 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.1 m -48.15 -39.13 19.78 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.54 -40.35 74.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.506 1.922 . . . . 0.0 112.232 176.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.3 -29.05 20.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.233 1.413 . . . . 0.0 111.615 -173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -69.13 -38.47 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 0.0 110.26 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.83 -44.62 90.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.133 0.973 . . . . 0.0 111.555 170.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.01 69.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.59 -48.06 57.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 114.054 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.074 0.397 . . . . 0.0 111.292 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -63.58 -48.68 76.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.206 1.002 . . . . 0.0 111.337 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.44 -43.81 98.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.43 1.892 . . . . 0.0 112.585 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.74 -31.95 65.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.302 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.15 -37.43 87.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.288 0.949 . . . . 0.0 111.249 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.77 -26.56 64.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 114.92 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.31 63.79 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.141 -0.974 . . . . 0.0 112.478 171.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -98.31 -4.55 34.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 127.056 2.143 . . . . 0.0 113.304 164.815 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 119.086 -0.483 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -55.98 -54.69 41.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.243 1.017 . . . . 0.0 111.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.41 -34.92 78.8 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.028 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -56.76 17.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.066 1.346 . . . . 0.0 112.738 171.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.52 69.64 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -69.73 -55.85 8.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.978 1.311 . . . . 0.0 111.585 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -52.41 -47.04 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 168.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.12 -44.49 87.77 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.609 -0.682 . . . . 0.0 112.155 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.62 -35.55 73.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.963 1.305 . . . . 0.0 111.821 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.49 -28.72 70.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.947 0.899 . . . . 0.0 112.981 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -92.51 -7.53 47.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.13 123.59 89.68 Favored Pre-proline 0 CA--C 1.553 1.083 0 CA-C-N 120.003 1.274 . . . . 0.0 112.411 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -85.82 -34.52 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.651 3.568 . . . . 0.0 116.1 -167.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -84.77 -13.07 52.32 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 111.84 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.08 139.61 57.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.251 1.82 . . . . 0.0 110.932 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -76.62 153.56 35.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 166.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.2 -29.94 70.12 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -71.41 -48.37 50.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.268 1.027 . . . . 0.0 112.447 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -53.44 -42.18 66.84 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.609 1.164 . . . . 0.0 111.437 169.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -54.74 -50.63 67.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.294 1.438 . . . . 0.0 111.888 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -54.77 -41.82 70.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 110.344 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.35 11.3 1.59 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 126.659 2.076 . . . . 0.0 116.176 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -129.82 -42.07 1.29 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 1.414 . . . . 0.0 107.745 161.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -54.49 -47.48 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.383 0.992 . . . . 0.0 111.187 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.97 79.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -57.73 -34.79 69.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.264 1.425 . . . . 0.0 113.139 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.11 -40.38 78.39 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.362 1.865 . . . . 0.0 111.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -64.16 -42.54 96.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.455 0.702 . . . . 0.0 111.178 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -62.48 -37.77 87.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -143.0 68.61 18.06 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.877 1.271 . . . . 0.0 114.333 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.06 -15.01 46.83 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.181 2.587 . . . . 0.0 112.926 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -75.04 -4.91 41.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.042 1.337 . . . . 0.0 114.041 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.53 28.74 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.302 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -49.49 -35.32 19.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.319 1.048 . . . . 0.0 113.26 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -38.51 79.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.928 1.291 . . . . 0.0 111.872 176.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -88.16 -30.79 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.433 1.493 . . . . 0.0 112.445 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -70.0 -37.86 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 123.495 0.718 . . . . 0.0 110.648 169.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.23 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.308 0.643 . . . . 0.0 110.58 166.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.83 70.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.669 0.668 . . . . 0.0 112.707 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.96 -56.45 15.09 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.717 1.207 . . . . 0.0 113.143 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.77 78.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.831 0.453 . . . . 0.0 111.057 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -69.04 -46.33 68.18 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.395 1.078 . . . . 0.0 111.751 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.88 -45.86 92.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.739 1.616 . . . . 0.0 112.146 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.3 -34.37 74.59 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.983 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -65.75 -35.68 81.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.086 0.857 . . . . 0.0 111.519 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -71.5 -32.95 68.79 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.111 0.965 . . . . 0.0 112.247 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.38 -11.98 59.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.123 1.369 . . . . 0.0 114.313 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -110.52 2.89 19.07 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.897 1.279 . . . . 0.0 113.179 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 126.704 2.002 . . . . 0.0 112.982 165.262 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.07 -50.25 74.03 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.499 1.52 . . . . 0.0 111.926 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.99 -26.36 68.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -72.59 -55.01 7.56 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.838 0.855 . . . . 0.0 111.336 170.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -35.96 75.6 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.73 -54.48 15.85 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.109 1.364 . . . . 0.0 112.004 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -39.03 60.13 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 167.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.71 -42.37 74.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.179 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.84 -30.62 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.027 1.331 . . . . 0.0 111.704 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.65 -39.99 95.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.982 0.913 . . . . 0.0 112.15 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -71.79 -15.0 62.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.85 115.86 53.7 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 119.295 0.952 . . . . 0.0 110.585 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.0 -37.9 0.51 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.634 2.223 . . . . 0.0 114.694 -166.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -79.74 -20.46 46.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 0.0 112.866 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.46 137.63 23.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.348 1.459 . . . . 0.0 110.078 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.33 2.0 p -75.26 149.65 38.78 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 173.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -66.63 -13.3 60.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.196 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -79.59 -56.44 4.3 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.696 1.599 . . . . 0.0 113.52 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -54.83 -41.38 70.62 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.194 1.397 . . . . 0.0 112.365 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -48.57 -50.21 33.32 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.842 1.257 . . . . 0.0 111.712 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.19 -30.11 66.17 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 127.199 2.2 . . . . 0.0 112.216 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 -39.73 76.9 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.092 1.315 . . . . 0.0 113.53 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -80.03 -43.44 21.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.39 -50.26 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.202 0.91 . . . . 0.0 110.248 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -53.74 -53.38 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.406 0.622 . . . . 0.0 111.434 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -55.08 -32.65 62.12 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.107 1.363 . . . . 0.0 113.72 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -43.73 71.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.337 1.855 . . . . 0.0 111.556 174.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -61.5 -35.33 77.39 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.288 0.635 . . . . 0.0 110.785 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -70.34 -49.17 52.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.59 1.156 . . . . 0.0 113.674 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -139.76 73.42 34.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.42 -12.64 36.53 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.327 2.018 . . . . 0.0 114.861 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -72.55 -11.09 60.51 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.179 1.354 . . . . 0.0 113.789 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.11 23.09 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.135 1.374 . . . . 0.0 112.954 172.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -52.48 -31.93 37.39 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.902 -1.124 . . . . 0.0 113.741 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -47.79 76.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.129 2.171 . . . . 0.0 111.604 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -78.32 -31.23 48.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.77 1.628 . . . . 0.0 111.791 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.922 0.889 . . . . 0.0 110.871 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.85 -45.74 89.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.7 0.8 . . . . 0.0 110.801 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.55 86.76 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.09 -50.99 71.03 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.425 -0.797 . . . . 0.0 112.814 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.82 83.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.841 0.456 . . . . 0.0 111.566 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -68.5 -48.6 64.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.895 0.878 . . . . 0.0 111.725 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -60.67 -43.8 97.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.399 1.879 . . . . 0.0 112.617 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.9 -30.09 66.34 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.112 0.869 . . . . 0.0 112.489 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -68.77 -35.74 77.44 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.243 -0.911 . . . . 0.0 111.618 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.87 -28.09 63.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.306 1.042 . . . . 0.0 113.395 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.25 93.72 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.156 -0.965 . . . . 0.0 111.076 170.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -99.57 2.9 45.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.126 0.97 . . . . 0.0 113.331 -168.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 126.582 1.953 . . . . 0.0 114.161 168.066 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -72.55 -54.51 8.99 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.346 1.058 . . . . 0.0 111.648 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -63.67 -34.63 78.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.673 0.669 . . . . 0.0 112.34 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.32 -51.5 69.68 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.264 0.483 . . . . 0.0 111.648 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.73 74.42 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -68.71 -54.84 13.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.282 1.433 . . . . 0.0 114.056 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.61 -44.09 65.8 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 166.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.97 -41.31 97.59 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.66 -34.79 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.122 1.369 . . . . 0.0 111.504 174.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.53 -35.55 80.85 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.642 1.177 . . . . 0.0 112.679 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -69.88 -18.73 63.43 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.226 1.01 . . . . 0.0 113.533 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -75.44 115.14 42.73 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.388 1.075 . . . . 0.0 111.396 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.29 -33.16 0.57 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.031 2.487 . . . . 0.0 115.542 -166.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -80.66 -20.3 43.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.155 0.889 . . . . 0.0 112.026 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.88 140.21 43.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.514 1.525 . . . . 0.0 110.298 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -81.77 149.67 28.28 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.53 -32.41 67.05 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.77 0.795 . . . . 0.0 110.471 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -67.72 -48.51 66.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.07 2.148 . . . . 0.0 113.996 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -61.28 -39.91 92.18 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.47 1.108 . . . . 0.0 112.034 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -54.78 -43.49 72.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.344 1.058 . . . . 0.0 111.842 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -50.14 -39.97 44.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.845 2.058 . . . . 0.0 112.916 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.63 -29.92 74.35 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 119.456 1.025 . . . . 0.0 114.55 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.16 -46.47 9.73 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.23 -48.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.715 0.806 . . . . 0.0 110.997 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -54.38 -54.46 40.32 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.995 0.426 . . . . 0.0 111.939 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -57.26 -31.84 65.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.345 1.058 . . . . 0.0 113.85 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -36.57 84.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.745 1.218 . . . . 0.0 112.061 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.19 -45.32 81.24 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.385 -0.822 . . . . 0.0 110.527 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -66.33 -51.98 51.78 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -125.87 63.45 47.54 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.193 1.797 . . . . 0.0 113.717 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -62.11 -18.59 62.72 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.975 2.45 . . . . 0.0 113.966 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.0 p -68.73 -6.11 24.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.818 2.047 . . . . 0.0 115.414 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.23 26.3 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.327 1.451 . . . . 0.0 112.1 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -51.89 -33.08 35.25 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.609 -1.307 . . . . 0.0 113.606 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.75 75.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.718 1.607 . . . . 0.0 112.319 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.79 -27.08 20.23 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.124 1.37 . . . . 0.0 111.233 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -73.87 -42.58 53.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.58 1.152 . . . . 0.0 110.9 170.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.26 -41.12 83.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.704 0.801 . . . . 0.0 110.941 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.49 82.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.708 . . . . 0.0 112.447 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.97 -46.47 65.15 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.283 1.033 . . . . 0.0 113.509 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.75 80.97 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.155 0.434 . . . . 0.0 110.393 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.16 -53.04 51.04 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.074 0.95 . . . . 0.0 111.99 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -29.29 69.2 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -77.78 -31.09 51.71 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.314 0.961 . . . . 0.0 113.59 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -66.54 -38.38 87.02 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.905 1.23 . . . . 0.0 110.984 167.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.72 -29.78 69.11 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.073 1.749 . . . . 0.0 114.519 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.95 55.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.53 1.132 . . . . 0.0 113.836 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -100.92 -7.75 23.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.674 1.189 . . . . 0.0 112.969 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 126.239 1.816 . . . . 0.0 112.535 165.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -54.08 -53.79 48.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.759 0.709 . . . . 0.0 111.749 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.59 -33.07 70.99 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.56 0.618 . . . . 0.0 112.369 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -66.63 -60.61 2.56 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.984 1.714 . . . . 0.0 113.099 172.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.0 70.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.83 -56.41 12.04 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.684 1.594 . . . . 0.0 112.533 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -41.93 63.67 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.86 -40.33 91.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.77 1.228 . . . . 0.0 113.015 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.35 -40.62 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 119.667 1.121 . . . . 0.0 111.054 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.78 -23.72 66.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.129 0.972 . . . . 0.0 112.981 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -78.3 -10.78 59.81 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.23 127.22 69.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.214 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -87.71 -36.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.694 2.929 . . . . 0.0 115.065 -172.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -80.1 -18.63 49.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.305 -0.872 . . . . 0.0 112.0 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.5 135.25 57.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.417 1.487 . . . . 0.0 110.419 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.288 2.5 p -76.89 152.52 35.36 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 174.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.85 -24.98 60.0 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 172.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.14 -45.83 15.83 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.44 1.896 . . . . 0.0 112.102 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.38 -44.23 92.8 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.825 1.25 . . . . 0.0 112.82 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -44.65 -48.62 10.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.919 1.688 . . . . 0.0 111.393 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -55.27 -41.39 72.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.124 1.77 . . . . 0.0 113.156 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.34 72.72 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.103 -0.998 . . . . 0.0 114.456 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -90.93 -49.44 6.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.96 -49.28 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.227 1.011 . . . . 0.0 111.686 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -44.1 97.9 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -60.21 -32.56 71.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.294 1.038 . . . . 0.0 112.751 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -27.99 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.8 1.64 . . . . 0.0 113.564 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -71.55 -41.0 69.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.85 0.86 . . . . 0.0 110.831 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -70.69 -52.37 21.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.868 2.067 . . . . 0.0 115.631 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -129.64 63.89 69.72 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 126.65 1.98 . . . . 0.0 115.223 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -61.03 -13.8 29.63 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.395 2.73 . . . . 0.0 113.635 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -60.06 -17.66 41.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 113.048 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.23 26.61 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.964 1.705 . . . . 0.0 113.232 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -43.57 -41.08 4.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.763 1.225 . . . . 0.0 113.712 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -35.08 76.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.728 2.411 . . . . 0.0 112.213 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -86.63 -35.42 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.376 1.07 . . . . 0.0 112.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.67 -40.56 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.657 0.783 . . . . 0.0 111.174 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.98 -43.91 98.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.338 0.655 . . . . 0.0 110.833 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.98 85.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.76 -45.51 67.91 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.147 0.979 . . . . 0.0 113.192 173.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.44 75.15 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.195 0.452 . . . . 0.0 110.823 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.89 -53.18 34.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.437 1.095 . . . . 0.0 112.22 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -22.62 64.96 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.48 -28.13 31.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.983 0.913 . . . . 0.0 113.373 169.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.31 -39.55 74.73 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.218 -0.926 . . . . 0.0 111.393 167.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.09 -34.61 78.82 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.585 1.954 . . . . 0.0 109.985 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.25 -23.52 57.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -104.99 -1.62 25.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.493 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 126.055 1.742 . . . . 0.0 114.114 172.591 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -56.33 -51.58 67.73 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.795 0.838 . . . . 0.0 111.947 170.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.17 -25.1 65.08 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.28 -65.65 0.65 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.117 1.767 . . . . 0.0 111.696 167.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.78 68.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.73 -55.5 7.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.208 1.003 . . . . 0.0 111.009 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -52.65 -42.99 65.18 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.61 -51.01 70.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.654 1.182 . . . . 0.0 112.949 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.69 -31.27 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.793 1.237 . . . . 0.0 111.372 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 41.7 mt -62.69 -33.55 75.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.766 0.827 . . . . 0.0 113.025 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.37 -27.11 38.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -173.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.1 120.63 63.13 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 119.157 0.89 . . . . 0.0 112.408 -166.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.63 -41.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.959 2.439 . . . . 0.0 115.321 -166.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.58 -19.81 51.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.403 0.681 . . . . 0.0 111.5 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.36 133.63 56.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.375 1.87 . . . . 0.0 110.616 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -73.44 153.81 40.23 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.231 -0.293 . . . . 0.0 111.621 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -66.12 -27.12 67.81 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.283 0.563 . . . . 0.0 111.13 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -67.9 -48.78 65.07 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.162 1.785 . . . . 0.0 113.427 174.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.41 -44.29 88.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.851 1.261 . . . . 0.0 110.854 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 23.5 ttm-85 -51.39 -50.85 58.8 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.227 1.411 . . . . 0.0 111.247 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -53.05 -44.55 67.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.742 1.217 . . . . 0.0 111.595 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.33 -22.34 63.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.803 1.192 . . . . 0.0 115.875 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.49 -47.24 5.74 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.427 1.613 . . . . 0.0 106.651 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.35 -50.48 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.886 1.221 . . . . 0.0 111.809 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -53.73 -54.01 44.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.544 0.338 . . . . 0.0 111.827 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -61.61 -22.92 65.66 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -43.18 80.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 120.284 1.402 . . . . 0.0 111.651 167.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.19 -41.75 99.24 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 121.42 -0.8 . . . . 0.0 110.943 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.47 -47.84 45.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.521 1.528 . . . . 0.0 114.623 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -131.11 60.7 54.89 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.484 1.914 . . . . 0.0 115.858 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.09 -16.0 51.6 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.213 2.609 . . . . 0.0 114.477 -173.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -68.48 -14.59 63.11 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.721 -1.237 . . . . 0.0 113.547 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.51 25.5 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.451 1.1 . . . . 0.0 112.483 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.8 p -45.35 -38.26 5.65 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.766 1.227 . . . . 0.0 113.873 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -46.66 82.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.313 1.845 . . . . 0.0 110.672 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.71 -32.94 53.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.984 1.714 . . . . 0.0 112.765 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.52 -41.3 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.057 0.943 . . . . 0.0 110.252 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.55 -40.8 97.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.524 0.73 . . . . 0.0 111.433 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.46 91.18 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.259 0.936 . . . . 0.0 112.156 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.29 -44.31 65.44 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.372 1.069 . . . . 0.0 112.942 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.71 77.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.677 0.671 . . . . 0.0 111.38 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -69.04 -52.54 27.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.399 1.08 . . . . 0.0 112.443 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -29.08 69.82 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.729 1.15 . . . . 0.0 113.633 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -29.91 44.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.748 1.158 . . . . 0.0 113.215 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -69.65 -45.87 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.929 1.241 . . . . 0.0 111.002 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.1 -21.43 56.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.33 -40.51 70.69 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.968 -0.457 . . . . 0.0 111.948 164.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -81.92 -3.71 54.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.879 0.872 . . . . 0.0 113.197 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 125.909 1.683 . . . . 0.0 111.75 162.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -61.96 -53.52 54.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.457 0.571 . . . . 0.0 112.176 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -66.19 -33.12 75.04 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.322 0.965 . . . . 0.0 112.604 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.82 -55.45 32.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.134 0.974 . . . . 0.0 112.648 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.54 73.37 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.77 -55.29 13.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.192 1.797 . . . . 0.0 113.469 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.32 -43.84 64.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 166.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -66.44 -38.78 88.16 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.68 -40.94 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.379 1.072 . . . . 0.0 110.76 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.51 -22.98 67.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.766 1.226 . . . . 0.0 113.815 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -20.83 60.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.23 119.47 76.54 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.069 0.947 . . . . 0.0 112.043 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.72 -36.58 0.58 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.72 2.947 . . . . 0.0 114.907 -167.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.46 -21.24 28.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.075 0.95 . . . . 0.0 111.161 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.07 135.82 57.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.847 2.059 . . . . 0.0 111.237 173.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -80.96 152.9 27.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -53.74 -37.01 62.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.48 0.712 . . . . 0.0 110.881 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.81 -50.13 58.48 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.226 1.01 . . . . 0.0 112.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.13 -43.62 78.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.245 1.018 . . . . 0.0 111.933 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -53.64 -48.61 69.22 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.519 1.128 . . . . 0.0 111.852 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -55.63 -37.23 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.624 1.57 . . . . 0.0 111.28 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.57 -19.83 75.05 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 119.944 1.247 . . . . 0.0 115.805 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.19 -47.37 6.67 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.24 -48.25 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.278 0.945 . . . . 0.0 111.372 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -53.92 -51.73 62.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.118 0.961 . . . . 0.0 111.846 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 m -58.47 -31.24 67.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.811 1.644 . . . . 0.0 113.436 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -31.02 71.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.718 1.607 . . . . 0.0 112.228 172.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -72.27 -39.18 68.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.234 1.014 . . . . 0.0 111.666 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -68.69 -60.35 2.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.995 1.318 . . . . 0.0 113.527 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -123.23 62.49 21.17 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -170.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -66.06 -7.6 17.55 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.64 2.226 . . . . 0.0 113.703 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -63.53 -11.17 22.06 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.362 1.465 . . . . 0.0 114.527 163.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -121.66 24.72 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.863 1.665 . . . . 0.0 112.436 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -40.18 -45.16 1.98 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.605 1.562 . . . . 0.0 114.424 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' H ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.33 -44.05 79.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.938 2.895 . . . . 0.0 111.233 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.27 -31.06 25.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.444 1.497 . . . . 0.0 112.076 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -69.2 -40.04 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.488 0.715 . . . . 0.0 110.493 173.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 -43.42 84.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.425 0.69 . . . . 0.0 110.691 166.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.2 86.29 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.172 0.589 . . . . 0.0 112.571 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.65 -43.03 77.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.516 1.053 . . . . 0.0 113.518 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.03 85.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.871 0.305 . . . . 0.0 110.894 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -66.55 -52.31 47.09 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.271 1.028 . . . . 0.0 112.485 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -26.36 66.77 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.86 -35.18 57.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.197 0.908 . . . . 0.0 112.578 168.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.4 -37.29 86.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.522 1.056 . . . . 0.0 111.616 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.38 -35.0 78.45 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.492 1.117 . . . . 0.0 111.154 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.37 -32.91 72.25 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.35 -2.42 56.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.055 1.342 . . . . 0.0 113.378 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 124.989 1.315 . . . . 0.0 112.718 171.102 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -53.75 -57.11 12.03 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.835 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -57.64 -36.08 71.37 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.909 0.777 . . . . 0.0 113.027 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.42 -59.62 4.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.229 1.412 . . . . 0.0 113.449 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.65 70.04 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.91 -56.52 7.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.619 1.968 . . . . 0.0 113.018 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -41.43 62.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.89 -37.01 83.58 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.3 mt -68.25 -39.03 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 111.374 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.88 -22.35 66.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.845 1.258 . . . . 0.0 113.631 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -73.65 -27.55 61.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.42 1.488 . . . . 0.0 113.998 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.13 125.52 87.82 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.097 0.959 . . . . 0.0 112.633 -163.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -81.9 -34.72 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.688 2.925 . . . . 0.0 115.275 -171.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -84.67 -18.33 35.68 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.596 1.089 . . . . 0.0 112.653 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.22 137.79 58.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.685 1.594 . . . . 0.0 111.063 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 p -85.7 154.55 21.57 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -63.45 -21.38 66.27 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -70.77 -51.11 29.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.598 -1.314 . . . . 0.0 113.669 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -60.34 -48.84 80.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.669 1.188 . . . . 0.0 112.002 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -49.65 -55.85 12.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.627 1.571 . . . . 0.0 111.644 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -29.98 44.81 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.624 1.97 . . . . 0.0 113.072 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.26 -41.73 37.45 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.472 1.033 . . . . 0.0 113.845 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.56 -43.49 38.75 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 mt -56.41 -48.06 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 110.419 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -53.47 -54.05 42.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 120.943 0.401 . . . . 0.0 111.596 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -58.24 -29.88 66.09 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.84 -29.12 66.3 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.516 1.053 . . . . 0.0 113.449 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.93 -42.24 73.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.328 0.651 . . . . 0.0 110.809 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.86 -47.6 37.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.768 1.627 . . . . 0.0 114.111 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -133.02 61.61 57.05 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 127.192 2.197 . . . . 0.0 114.714 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -58.47 -16.7 30.61 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.362 2.708 . . . . 0.0 113.796 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -57.05 -30.69 64.47 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.218 1.407 . . . . 0.0 113.385 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.88 23.26 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.549 1.14 . . . . 0.0 112.818 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -46.28 -37.09 6.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.44 76.09 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.21 2.204 . . . . 0.0 112.168 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -85.35 -33.97 21.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.648 1.179 . . . . 0.0 111.798 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -67.61 -41.95 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.098 -1.001 . . . . 0.0 111.083 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.94 -47.36 85.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.227 0.467 . . . . 0.0 110.307 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.87 77.3 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.18 -48.98 66.31 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.273 1.029 . . . . 0.0 113.657 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.12 85.66 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.199 0.524 . . . . 0.0 111.514 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.67 -45.85 64.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.275 1.03 . . . . 0.0 111.737 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.24 -50.26 73.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.131 1.772 . . . . 0.0 112.117 170.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.56 -24.76 61.98 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.031 0.832 . . . . 0.0 112.657 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -69.32 -34.62 74.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.14 0.882 . . . . 0.0 111.37 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.76 -32.55 62.09 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.946 0.879 . . . . 0.0 112.643 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.15 69.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.132 0.973 . . . . 0.0 112.13 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -100.21 1.96 42.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.945 1.298 . . . . 0.0 113.218 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 126.77 2.028 . . . . 0.0 112.064 164.253 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -64.34 -58.61 6.0 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.975 0.91 . . . . 0.0 111.413 171.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.89 -36.27 76.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.509 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -58.16 -57.91 10.78 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -25.67 67.35 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -73.33 -56.63 4.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.798 1.639 . . . . 0.0 112.528 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -39.57 71.65 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.66 -45.82 92.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.859 0.864 . . . . 0.0 112.621 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.51 -37.31 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.966 1.307 . . . . 0.0 111.291 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.64 -19.54 40.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.329 1.052 . . . . 0.0 113.491 172.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -98.9 -7.83 26.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.37 124.98 91.62 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 120.413 1.461 . . . . 0.0 111.059 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -87.99 -30.56 0.25 Allowed 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.078 2.519 . . . . 0.0 115.75 -165.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -85.74 -22.26 27.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.842 -1.161 . . . . 0.0 111.402 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.02 133.86 55.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.06 2.144 . . . . 0.0 111.596 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -78.26 154.44 30.98 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -26.68 63.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.252 1.021 . . . . 0.0 112.874 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -74.7 -47.54 30.92 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.377 1.871 . . . . 0.0 113.731 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 124.479 1.112 . . . . 0.0 111.493 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -43.84 -57.85 3.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.943 2.097 . . . . 0.0 111.818 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.2 -45.64 23.31 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.803 1.641 . . . . 0.0 112.786 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.33 86.96 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-N 119.667 1.121 . . . . 0.0 113.912 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -82.03 -48.82 10.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.4 mt -57.02 -52.93 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.058 0.943 . . . . 0.0 112.256 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -52.51 -50.62 62.42 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.596 0.712 . . . . 0.0 111.426 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.6 m -61.11 -26.52 67.73 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.253 1.421 . . . . 0.0 114.228 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.13 -32.38 61.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.817 2.047 . . . . 0.0 112.902 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -68.41 -34.74 76.54 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.982 -0.449 . . . . 0.0 110.57 170.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.31 -64.43 0.86 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -121.3 69.29 20.7 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.077 1.751 . . . . 0.0 113.393 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -64.71 -8.84 18.74 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.858 2.372 . . . . 0.0 113.875 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -62.47 -35.3 78.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.744 1.617 . . . . 0.0 113.079 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -97.16 24.34 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.711 1.604 . . . . 0.0 112.364 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.3 p -30.32 -48.88 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.786 2.435 . . . . 0.0 114.165 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.85 -41.05 99.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.764 2.026 . . . . 0.0 111.738 -178.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.04 -31.18 23.57 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.499 1.12 . . . . 0.0 111.998 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.27 -42.64 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.694 0.797 . . . . 0.0 109.947 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.23 -44.18 97.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.546 0.739 . . . . 0.0 111.457 170.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.01 74.7 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.15 0.886 . . . . 0.0 113.196 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.2 -51.32 54.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.37 1.068 . . . . 0.0 112.573 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.8 75.24 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 117.945 0.339 . . . . 0.0 111.618 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.49 -51.69 54.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.343 1.057 . . . . 0.0 111.406 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -60.63 -41.06 94.15 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.749 1.219 . . . . 0.0 113.03 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.09 -27.8 60.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.985 0.514 . . . . 0.0 112.337 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.09 -35.81 76.9 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.091 -1.006 . . . . 0.0 111.073 166.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -38.45 90.61 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.191 1.397 . . . . 0.0 114.113 173.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.1 65.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.772 1.629 . . . . 0.0 113.169 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -112.72 -6.63 13.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.461 1.104 . . . . 0.0 111.93 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.923 0 C-N-CA 126.415 1.886 . . . . 0.0 112.843 171.791 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.79 -52.6 49.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.535 1.134 . . . . 0.0 112.409 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.31 -27.99 69.0 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -66.98 -50.92 60.75 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.763 1.225 . . . . 0.0 112.747 168.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.75 72.81 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.153 0.888 . . . . 0.0 112.833 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -70.68 -52.35 21.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.392 1.477 . . . . 0.0 109.889 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -49.57 -44.78 47.13 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 166.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -69.69 -40.43 76.37 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.894 1.278 . . . . 0.0 113.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.79 -39.69 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.759 1.224 . . . . 0.0 110.878 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.84 -26.89 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.409 1.083 . . . . 0.0 112.922 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -21.94 61.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.7 114.63 38.42 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 119.982 1.264 . . . . 0.0 111.478 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.63 -29.66 0.74 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.25 2.633 . . . . 0.0 114.482 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.83 -11.02 59.85 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.416 -0.803 . . . . 0.0 111.028 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.31 130.26 39.35 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.986 1.714 . . . . 0.0 110.645 172.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 p -79.37 156.71 27.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.363 0.665 . . . . 0.0 112.784 168.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.37 -33.34 72.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 111.361 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -69.13 -31.99 71.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.424 1.49 . . . . 0.0 114.623 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.42 -43.69 31.7 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.1 1.36 . . . . 0.0 111.308 170.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -51.02 -49.08 61.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.932 2.093 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -45.14 -45.94 11.61 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.398 1.879 . . . . 0.0 113.912 172.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.97 72.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-N 119.29 0.95 . . . . 0.0 114.079 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.12 -49.39 6.78 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -56.59 -50.99 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.58 1.082 . . . . 0.0 111.576 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.93 -47.6 84.47 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.304 0.574 . . . . 0.0 111.687 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.8 m -55.99 -33.91 65.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.764 1.626 . . . . 0.0 113.724 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -41.09 87.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.373 1.869 . . . . 0.0 111.912 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -65.56 -34.47 78.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.603 -0.685 . . . . 0.0 111.455 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -75.5 -46.04 34.68 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.911 1.284 . . . . 0.0 113.546 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -141.1 77.42 20.48 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.788 1.635 . . . . 0.0 115.138 -174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.99 -9.65 26.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.926 2.417 . . . . 0.0 114.482 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -64.24 -15.3 59.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.867 1.267 . . . . 0.0 114.32 173.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.54 23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.211 1.404 . . . . 0.0 110.777 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -51.86 -34.87 42.81 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.277 1.399 . . . . 0.0 113.793 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.04 82.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.376 1.07 . . . . 0.0 111.976 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.63 -35.87 57.79 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.94 1.696 . . . . 0.0 110.536 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.14 -41.66 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.973 1.309 . . . . 0.0 110.414 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.21 -44.49 95.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.493 0.717 . . . . 0.0 110.673 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.9 83.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.014 0.526 . . . . 0.0 112.238 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.31 -43.45 81.65 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.1 -1.0 . . . . 0.0 113.652 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.765 0.317 . . . . 0.0 111.146 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.24 -44.32 72.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.383 1.073 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.94 -45.08 93.77 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 127.557 2.343 . . . . 0.0 112.464 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.62 -33.73 64.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.049 0.539 . . . . 0.0 112.133 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.71 -33.73 75.7 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.988 0.813 . . . . 0.0 111.088 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.13 -35.99 74.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.89 62.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.882 1.273 . . . . 0.0 113.308 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -106.97 0.03 23.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.396 1.078 . . . . 0.0 112.726 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 125.218 1.407 . . . . 0.0 112.773 168.382 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -53.84 -58.18 8.2 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.592 -0.692 . . . . 0.0 111.708 164.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -64.36 -25.4 68.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.633 1.106 . . . . 0.0 113.958 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -61.72 -69.48 0.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.913 1.285 . . . . 0.0 112.055 164.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.86 65.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.57 -58.21 3.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.974 1.71 . . . . 0.0 111.209 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.03 -44.36 64.18 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 170.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.67 -47.04 82.84 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.821 0.848 . . . . 0.0 112.401 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.17 -36.58 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.427 0.558 . . . . 0.0 110.93 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.78 -23.13 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 170.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.29 -28.75 18.57 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.75 121.11 32.21 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.53 1.132 . . . . 0.0 112.885 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.15 -35.9 3.72 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.425 2.75 . . . . 0.0 115.915 -160.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -87.64 -5.34 58.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.704 1.202 . . . . 0.0 112.032 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.34 134.8 39.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.557 1.543 . . . . 0.0 110.404 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 p -74.26 154.8 38.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.181 0.515 . . . . 0.0 112.018 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.46 -29.49 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.224 -0.298 . . . . 0.0 111.615 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -68.02 -55.31 13.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.213 1.405 . . . . 0.0 113.667 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -55.0 -42.77 72.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.183 0.993 . . . . 0.0 111.507 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -42.66 -52.19 4.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.489 1.516 . . . . 0.0 112.31 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -55.06 -42.58 72.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.214 0.915 . . . . 0.0 112.585 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.36 -6.65 49.15 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -111.18 -47.55 3.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 168.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.7 -48.43 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.89 1.276 . . . . 0.0 111.069 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -58.6 -51.92 67.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.085 0.469 . . . . 0.0 111.748 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 m -54.69 -32.62 59.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.622 1.169 . . . . 0.0 113.334 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.77 -31.97 70.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.535 1.134 . . . . 0.0 113.803 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.85 -35.92 81.15 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.835 -0.54 . . . . 0.0 110.477 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.31 -45.5 14.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.137 1.375 . . . . 0.0 113.967 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -133.14 59.2 40.38 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.244 1.818 . . . . 0.0 113.494 -169.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -59.27 -18.55 45.59 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.33 3.354 . . . . 0.0 114.6 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -64.44 -19.7 65.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.635 1.561 . . . . 0.0 113.101 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -101.39 23.47 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.878 -1.139 . . . . 0.0 111.9 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -46.5 -41.57 14.29 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.896 -1.127 . . . . 0.0 113.661 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.94 -36.7 82.17 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.609 2.364 . . . . 0.0 111.977 179.561 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.2 -36.27 24.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.661 1.585 . . . . 0.0 111.049 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.16 -38.94 72.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.382 1.473 . . . . 0.0 110.517 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.01 -48.88 79.87 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.933 0.893 . . . . 0.0 110.219 167.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.06 -40.75 81.81 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.63 -47.8 79.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.4 87.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.892 0.477 . . . . 0.0 111.64 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.06 -45.19 67.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.813 1.245 . . . . 0.0 111.953 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.75 -47.73 84.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 172.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.44 -29.96 67.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.188 0.904 . . . . 0.0 112.094 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.52 -38.19 88.95 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.233 -0.917 . . . . 0.0 111.295 167.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -35.02 74.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.64 61.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.382 1.473 . . . . 0.0 113.216 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -115.33 3.92 14.3 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.233 1.413 . . . . 0.0 112.066 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 125.769 1.628 . . . . 0.0 111.529 163.822 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.09 -54.15 42.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.504 -0.748 . . . . 0.0 112.249 174.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -32.39 73.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.335 0.654 . . . . 0.0 111.741 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.19 -57.93 8.9 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.177 1.391 . . . . 0.0 112.07 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -31.41 66.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -68.37 -57.88 5.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.609 1.564 . . . . 0.0 113.302 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -44.81 27.54 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 166.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -64.21 -44.09 93.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.421 1.088 . . . . 0.0 113.23 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.44 -30.79 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.704 1.202 . . . . 0.0 111.935 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.34 -32.86 74.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.15 0.98 . . . . 0.0 112.534 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.19 -24.68 57.86 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.86 119.5 69.88 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.225 1.01 . . . . 0.0 112.314 -168.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.89 -35.28 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.953 2.435 . . . . 0.0 114.979 -166.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -78.86 -22.3 46.24 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.212 0.914 . . . . 0.0 112.528 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.05 141.1 51.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.126 2.171 . . . . 0.0 111.273 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -91.01 160.01 15.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 173.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.53 -33.79 74.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.805 0.812 . . . . 0.0 111.816 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.21 -43.34 98.41 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.079 1.351 . . . . 0.0 112.823 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.71 -49.77 64.97 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 111.785 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -51.82 -54.19 31.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.162 1.785 . . . . 0.0 111.337 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -37.34 74.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.211 1.404 . . . . 0.0 111.392 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.82 96.9 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.056 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -82.71 -47.27 12.18 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.204 1.502 . . . . 0.0 107.271 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.42 -51.67 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.579 0.752 . . . . 0.0 111.365 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -59.76 -46.16 90.03 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 122.035 0.922 . . . . 0.0 111.092 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -57.48 -30.91 65.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.181 1.393 . . . . 0.0 114.018 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.53 82.43 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.065 1.346 . . . . 0.0 111.513 172.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.91 -44.14 66.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.026 0.93 . . . . 0.0 110.991 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -64.84 -44.1 90.9 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -136.79 64.09 48.63 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 114.494 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.0 -14.02 40.94 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.242 1.961 . . . . 0.0 113.364 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.9 p -54.13 -26.39 27.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.512 1.125 . . . . 0.0 113.309 169.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.3 23.61 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.413 1.485 . . . . 0.0 112.309 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -42.25 -44.9 3.98 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.999 1.319 . . . . 0.0 113.758 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.79 -36.24 80.51 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.043 2.537 . . . . 0.0 112.241 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -88.51 -33.79 17.65 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.838 1.255 . . . . 0.0 111.381 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.58 -37.96 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.382 1.073 . . . . 0.0 110.581 175.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.64 -46.68 86.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.3 0.64 . . . . 0.0 110.884 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.26 72.35 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.71 -55.09 16.67 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.703 1.601 . . . . 0.0 113.48 169.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.24 75.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.669 0.388 . . . . 0.0 111.968 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -68.72 -50.67 48.89 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.098 0.959 . . . . 0.0 111.517 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -46.1 77.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.059 1.344 . . . . 0.0 112.251 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.98 -26.79 63.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.078 -1.014 . . . . 0.0 113.538 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.41 -38.71 71.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.547 1.067 . . . . 0.0 111.085 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.64 -35.09 74.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.19 66.72 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 112.337 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -99.53 -13.61 19.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.719 1.208 . . . . 0.0 112.642 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.934 0 C-N-CA 125.134 1.374 . . . . 0.0 112.543 169.31 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.99 -51.22 71.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.688 0.395 . . . . 0.0 111.159 172.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.86 -31.96 73.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.085 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -59.07 -63.17 1.4 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.681 1.192 . . . . 0.0 111.309 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.29 71.24 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.03 -55.5 14.14 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.475 1.11 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -51.78 -45.97 63.98 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 167.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.5 -37.74 88.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.252 1.421 . . . . 0.0 113.318 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.6 mt -69.52 -44.11 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.482 1.113 . . . . 0.0 111.048 172.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.8 -18.1 64.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.137 1.375 . . . . 0.0 114.123 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -79.63 -21.82 44.37 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.558 1.543 . . . . 0.0 113.562 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.89 112.79 22.01 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 119.655 1.116 . . . . 0.0 111.221 -170.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.76 -30.79 5.8 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.964 2.442 . . . . 0.0 114.108 -165.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -84.25 -11.12 57.0 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.043 -1.036 . . . . 0.0 112.661 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.12 135.37 50.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.41 1.484 . . . . 0.0 111.46 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.254 3.8 p -73.44 151.94 40.94 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -67.63 -20.78 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.317 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.25 -47.89 25.96 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.743 1.617 . . . . 0.0 113.492 167.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.2 -42.1 90.13 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.701 1.2 . . . . 0.0 111.843 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -49.75 -52.47 31.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.702 1.601 . . . . 0.0 111.602 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -57.52 -33.0 67.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.331 1.852 . . . . 0.0 112.368 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.16 -45.22 88.24 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 125.391 1.472 . . . . 0.0 113.123 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.77 -47.2 9.97 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.13 -47.74 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.126 0.875 . . . . 0.0 111.839 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -46.21 88.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -65.05 -26.03 68.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -41.14 97.53 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.978 1.311 . . . . 0.0 112.06 169.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.24 -41.25 94.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.77 0.828 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -64.35 -53.27 51.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -131.45 65.46 76.22 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 115.603 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -60.9 -15.92 41.55 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.195 2.597 . . . . 0.0 115.255 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 m -62.48 -21.69 65.67 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.5 1.12 . . . . 0.0 113.657 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -109.16 23.66 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 113.078 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -41.3 -41.82 2.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.146 1.378 . . . . 0.0 114.567 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.13 -37.19 84.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.335 2.654 . . . . 0.0 112.506 -179.352 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -80.23 -38.67 30.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.841 0.856 . . . . 0.0 111.978 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.19 -39.97 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 110.517 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.74 -43.77 98.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.716 171.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.99 81.02 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.35 -47.48 73.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 113.22 172.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.45 85.97 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.084 0.402 . . . . 0.0 111.06 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.81 -45.38 78.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.236 1.014 . . . . 0.0 111.686 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -60.56 -46.89 88.53 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.902 1.681 . . . . 0.0 112.905 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.78 -22.65 60.8 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.544 -0.723 . . . . 0.0 112.835 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.51 -36.81 76.8 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.68 -0.637 . . . . 0.0 111.263 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.55 -29.59 68.18 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.45 65.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 113.535 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -116.44 -9.48 11.45 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 112.345 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 126.875 2.07 . . . . 0.0 113.504 168.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.13 -55.21 37.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.765 -0.584 . . . . 0.0 111.719 170.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.47 -28.5 69.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.737 0.415 . . . . 0.0 111.959 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.56 -67.85 0.32 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.056 1.342 . . . . 0.0 112.085 164.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.46 64.14 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.17 -58.93 3.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.613 1.565 . . . . 0.0 112.538 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.02 -43.94 63.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -59.2 -41.85 89.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.892 0.877 . . . . 0.0 112.827 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.6 -28.31 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.623 1.169 . . . . 0.0 111.911 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.72 -20.33 61.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.131 . . . . 0.0 113.473 167.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -85.29 -15.2 44.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.878 1.271 . . . . 0.0 113.203 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.77 121.28 80.68 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 120.637 1.562 . . . . 0.0 111.644 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.56 -31.28 2.07 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.405 2.736 . . . . 0.0 114.67 -167.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -88.7 -28.18 20.73 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.022 0.828 . . . . 0.0 112.712 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.01 139.03 53.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.205 1.802 . . . . 0.0 112.211 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 p -80.45 153.72 28.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.11 -28.22 67.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.002 1.321 . . . . 0.0 111.976 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.88 -50.14 25.64 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.751 1.62 . . . . 0.0 112.747 171.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.6 -41.94 91.48 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.026 0.93 . . . . 0.0 112.049 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -49.63 -46.08 49.05 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.272 1.429 . . . . 0.0 111.708 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -54.64 -40.84 69.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 112.985 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.75 -21.81 71.4 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.098 -0.834 . . . . 0.0 114.685 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -96.87 -47.17 5.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 173.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.43 -47.81 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.246 1.018 . . . . 0.0 112.244 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -52.75 -51.98 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.249 0.547 . . . . 0.0 111.794 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -28.87 69.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.33 -26.87 66.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.772 1.169 . . . . 0.0 113.355 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -72.34 -42.91 64.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.288 0.635 . . . . 0.0 110.483 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -73.97 -49.27 25.26 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.339 2.256 . . . . 0.0 116.191 -176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -125.51 63.34 44.31 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 128.466 2.706 . . . . 0.0 114.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -57.91 -20.1 42.84 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.336 2.69 . . . . 0.0 114.186 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -69.04 -18.47 64.03 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.933 -1.104 . . . . 0.0 113.591 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.26 10.7 m -101.09 26.53 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.594 1.158 . . . . 0.0 112.719 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -37.32 -42.98 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.18 1.792 . . . . 0.0 114.33 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.85 87.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.087 1.755 . . . . 0.0 111.76 -177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.45 -36.56 38.66 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.449 1.5 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.93 -42.36 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.484 1.114 . . . . 0.0 110.237 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.08 -49.84 74.36 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.056 0.942 . . . . 0.0 111.351 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.81 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.852 0.861 . . . . 0.0 113.063 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.52 -46.97 58.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.32 84.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.199 0.454 . . . . 0.0 111.287 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -46.37 72.92 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.852 1.261 . . . . 0.0 111.954 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.97 -47.02 87.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 112.511 174.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.43 -27.06 62.09 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -70.58 -35.14 72.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.114 0.87 . . . . 0.0 111.384 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.47 -34.67 78.46 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.11 77.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.342 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -91.87 0.71 57.47 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.045 0.938 . . . . 0.0 113.012 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 126.4 1.88 . . . . 0.0 111.422 163.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -52.25 -53.84 38.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.47 0.708 . . . . 0.0 112.491 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.95 -38.85 87.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.354 0.525 . . . . 0.0 112.156 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.63 -47.26 73.16 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.089 1.356 . . . . 0.0 112.576 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.43 -28.89 68.96 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.016 0.913 . . . . 0.0 112.363 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -72.23 -53.55 12.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 112.04 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -48.2 -45.9 34.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 166.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.76 -36.73 67.64 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.795 1.238 . . . . 0.0 112.848 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -79.1 -40.58 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 110.854 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.22 -24.5 67.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.481 1.112 . . . . 0.0 113.961 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -97.09 2.94 51.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.59 124.39 87.82 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.592 1.087 . . . . 0.0 111.236 174.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.53 -33.95 0.84 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.064 2.51 . . . . 0.0 115.35 -168.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -87.49 -21.33 25.55 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.237 0.926 . . . . 0.0 112.438 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 134.41 56.97 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.584 1.554 . . . . 0.0 111.884 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -78.82 159.31 27.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -54.86 -37.57 66.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.135 0.574 . . . . 0.0 111.09 172.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.37 -43.89 38.8 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.821 1.248 . . . . 0.0 112.581 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.23 -45.01 92.3 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.134 0.974 . . . . 0.0 112.043 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -50.59 -46.91 58.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.186 1.395 . . . . 0.0 111.38 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -49.02 -44.89 41.82 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.362 1.865 . . . . 0.0 113.518 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.08 -26.75 74.44 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-N 119.338 0.972 . . . . 0.0 113.823 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.71 -49.12 7.34 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -53.39 -53.67 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.338 1.055 . . . . 0.0 111.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -45.13 94.56 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.045 -0.409 . . . . 0.0 110.794 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -60.45 -32.0 70.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 tp -64.68 -34.78 79.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.343 1.057 . . . . 0.0 112.604 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.04 -38.72 82.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.504 0.722 . . . . 0.0 111.456 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.25 -46.37 56.26 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -132.22 71.32 79.76 Favored Pre-proline 0 CA--C 1.549 0.94 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -65.06 -14.32 44.58 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.4 2.067 . . . . 0.0 113.401 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -64.25 -22.96 67.13 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.306 1.442 . . . . 0.0 112.984 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -106.57 27.37 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.646 1.578 . . . . 0.0 112.679 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.2 p -42.12 -41.0 2.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.803 1.241 . . . . 0.0 113.664 175.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -43.13 82.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.785 2.034 . . . . 0.0 111.552 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.67 -36.7 51.01 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.407 1.083 . . . . 0.0 112.704 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -70.23 -39.09 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.536 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.56 -48.58 81.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.161 0.985 . . . . 0.0 110.256 168.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.81 80.85 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.527 0.603 . . . . 0.0 112.517 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.6 -49.87 55.97 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.08 -39.04 77.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.433 0.635 . . . . 0.0 110.748 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -73.59 -41.93 62.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.027 1.331 . . . . 0.0 112.981 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.71 -47.88 83.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.895 1.678 . . . . 0.0 111.749 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.14 -34.29 70.87 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.644 0.778 . . . . 0.0 112.617 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -64.71 -32.07 73.58 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.064 -1.022 . . . . 0.0 111.079 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.69 -29.06 61.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.3 59.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.014 0.925 . . . . 0.0 112.947 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -98.86 -3.82 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.69 1.196 . . . . 0.0 112.652 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 126.754 2.021 . . . . 0.0 111.177 164.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -56.31 -54.83 40.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.947 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.68 -35.57 78.37 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.048 1.294 . . . . 0.0 112.489 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.02 -61.27 2.67 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.044 1.738 . . . . 0.0 112.802 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.86 71.91 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -69.08 -53.83 18.27 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.025 1.33 . . . . 0.0 111.688 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.38 -42.55 70.49 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 116.069 1.878 . . . . 0.0 116.069 168.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -67.4 -34.14 76.65 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mt -68.13 -40.66 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.942 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.4 -21.97 66.81 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.379 1.072 . . . . 0.0 113.23 172.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -84.68 -3.09 58.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.813 2.045 . . . . 0.0 114.498 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.45 109.1 33.85 Favored Pre-proline 0 CA--C 1.549 0.934 0 O-C-N 120.845 -1.159 . . . . 0.0 111.76 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.95 -29.57 14.92 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.453 2.769 . . . . 0.0 114.343 -168.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.05 -6.26 54.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.077 0.951 . . . . 0.0 112.312 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.81 136.15 46.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.575 1.55 . . . . 0.0 110.301 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -74.63 152.14 39.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.432 0.56 . . . . 0.0 112.238 166.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -27.63 69.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.408 -0.182 . . . . 0.0 111.436 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.78 -44.59 61.36 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -57.07 -44.2 82.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.986 0.914 . . . . 0.0 111.136 170.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -50.73 -50.51 55.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.577 1.951 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -50.11 -43.56 51.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.859 1.664 . . . . 0.0 112.576 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -19.53 71.93 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.607 -1.107 . . . . 0.0 114.717 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -94.51 -49.5 5.63 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.179 1.489 . . . . 0.0 107.712 172.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.56 -47.74 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.452 0.701 . . . . 0.0 110.919 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.16 -47.46 83.31 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 m -58.95 -34.72 72.08 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -25.49 66.76 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.049 0.939 . . . . 0.0 113.53 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -72.03 -40.55 68.33 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.74 0.816 . . . . 0.0 111.227 170.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.4 -52.28 11.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.769 1.628 . . . . 0.0 114.631 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -126.11 61.07 38.96 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.344 2.258 . . . . 0.0 114.433 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -61.3 -12.1 22.19 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.116 3.21 . . . . 0.0 115.289 -172.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -68.26 -32.67 73.01 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.618 1.553 . . . . 0.0 112.042 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.27 23.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 120.786 -1.196 . . . . 0.0 112.958 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.6 p -40.76 -39.03 1.01 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.202 1.801 . . . . 0.0 114.025 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.48 85.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.227 1.811 . . . . 0.0 110.632 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.85 -40.82 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.726 1.21 . . . . 0.0 111.77 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.7 mm -63.09 -37.07 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.859 -0.525 . . . . 0.0 110.52 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.04 -45.44 77.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.147 0.979 . . . . 0.0 112.583 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.2 80.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.897 0.771 . . . . 0.0 111.218 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.92 -45.77 48.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.36 72.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.038 0.381 . . . . 0.0 110.852 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -69.51 -50.53 44.27 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.032 0.933 . . . . 0.0 111.709 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.0 ttpt -53.29 -48.11 68.63 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 112.368 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 16.7 mt -70.3 -36.26 74.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.18 0.592 . . . . 0.0 112.417 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.24 -38.44 83.44 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.279 0.945 . . . . 0.0 111.131 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.15 -26.71 42.74 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.8 70.93 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.375 0.67 . . . . 0.0 111.924 167.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.19 -4.81 55.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.981 0.912 . . . . 0.0 113.344 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 126.866 2.067 . . . . 0.0 113.904 168.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.29 -54.68 37.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.566 0.747 . . . . 0.0 111.629 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.02 -29.65 70.05 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.024 -172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.74 -57.22 13.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.97 1.708 . . . . 0.0 111.968 167.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.22 69.44 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -75.97 -53.54 8.23 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.012 1.325 . . . . 0.0 111.143 -174.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.04 -41.93 60.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 166.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -68.96 -42.87 76.04 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.76 -31.62 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.234 1.014 . . . . 0.0 111.534 174.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.34 -34.23 74.94 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.966 0.906 . . . . 0.0 112.512 166.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.58 -15.05 59.0 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.81 118.33 71.02 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 120.356 1.434 . . . . 0.0 112.111 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.98 -31.29 1.05 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.154 2.569 . . . . 0.0 115.048 -168.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -85.08 -3.06 58.66 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.332 0.969 . . . . 0.0 112.482 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 142.05 40.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.284 1.834 . . . . 0.0 110.615 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 p -77.76 154.34 32.07 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.569 1.077 . . . . 0.0 112.115 166.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.03 -29.65 70.78 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 122.151 -0.343 . . . . 0.0 111.3 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.27 -42.95 65.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.051 1.74 . . . . 0.0 112.798 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -57.65 -44.2 85.46 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -54.28 -54.32 41.83 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.665 1.186 . . . . 0.0 111.449 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -53.4 -41.46 65.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.203 1.001 . . . . 0.0 110.688 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -43.97 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.317 -1.269 . . . . 0.0 114.374 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -84.26 -45.86 12.43 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.83 1.815 . . . . 0.0 107.73 178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.2 mt -54.66 -47.93 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.065 0.546 . . . . 0.0 110.997 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.53 -55.48 28.7 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.308 0.575 . . . . 0.0 112.199 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.4 m -58.53 -28.75 65.75 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -44.49 95.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.074 1.75 . . . . 0.0 111.546 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.45 -40.27 86.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.661 0.785 . . . . 0.0 111.401 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.59 -38.11 55.38 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -132.12 59.94 47.71 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.0 -10.05 27.19 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.811 2.341 . . . . 0.0 115.281 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -77.01 -2.09 32.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.878 1.271 . . . . 0.0 113.475 171.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.0 27.37 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.417 1.087 . . . . 0.0 111.802 167.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -53.38 -34.11 56.36 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.021 -1.049 . . . . 0.0 113.372 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -41.85 93.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.591 0.756 . . . . 0.0 112.317 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -79.49 -34.49 41.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.216 1.406 . . . . 0.0 110.41 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.4 -39.06 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.521 1.528 . . . . 0.0 110.929 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.83 -49.88 74.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.449 0.699 . . . . 0.0 109.743 165.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.29 75.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.389 0.676 . . . . 0.0 112.818 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.94 -50.78 70.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.321 0.964 . . . . 0.0 113.516 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.54 75.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.806 0.443 . . . . 0.0 111.635 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -73.06 -46.03 53.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.392 1.477 . . . . 0.0 112.524 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 12.5 ttpt -58.1 -48.08 81.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.431 1.892 . . . . 0.0 111.93 172.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 11.5 mt -70.11 -35.95 74.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.418 0.687 . . . . 0.0 112.23 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -61.01 -36.86 80.62 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.05 0.841 . . . . 0.0 110.931 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.35 -32.03 66.14 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.39 -21.8 55.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.754 1.222 . . . . 0.0 113.669 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -100.07 -8.89 23.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.99 0.916 . . . . 0.0 112.373 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 125.837 1.655 . . . . 0.0 113.659 171.404 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.22 -51.86 64.57 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.923 1.289 . . . . 0.0 112.221 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.69 -28.94 70.29 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.66 -59.23 5.21 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.384 1.074 . . . . 0.0 112.351 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.04 68.4 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.71 -56.35 6.6 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -49.11 -49.34 42.41 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 165.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -61.58 -41.34 97.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.6 mt -71.54 -39.17 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 111.762 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.57 -31.08 71.12 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.281 -0.887 . . . . 0.0 112.682 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.97 -7.49 56.88 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.06 118.89 75.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 120.609 -1.307 . . . . 0.0 110.912 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.71 -30.95 2.72 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.232 2.621 . . . . 0.0 115.353 -166.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -89.2 -18.22 27.53 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.802 1.183 . . . . 0.0 113.354 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.62 132.82 53.63 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.95 1.7 . . . . 0.0 111.16 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -74.65 151.13 39.34 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.994 -0.441 . . . . 0.0 110.704 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.0 -27.01 67.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.878 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -60.54 -52.56 64.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.555 1.942 . . . . 0.0 111.783 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.05 -46.63 85.08 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.149 1.38 . . . . 0.0 111.732 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -54.27 -53.1 58.32 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 110.554 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -36.85 38.67 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.435 1.894 . . . . 0.0 113.478 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.28 -43.04 99.65 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 121.189 -0.944 . . . . 0.0 113.069 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -80.56 -49.49 11.26 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -57.8 -48.18 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.793 0.837 . . . . 0.0 111.894 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -44.73 94.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.389 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -64.05 -25.72 68.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -30.87 71.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 119.672 1.124 . . . . 0.0 112.406 169.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -76.58 -27.28 55.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.826 1.251 . . . . 0.0 112.002 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -79.9 -51.56 8.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.477 1.511 . . . . 0.0 112.249 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -132.12 66.54 77.66 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 126.566 1.947 . . . . 0.0 114.756 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.36 -9.73 24.98 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.85 2.367 . . . . 0.0 115.906 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -77.53 -18.13 57.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.549 1.522 . . . . 0.0 113.617 169.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.291 6.2 m -93.65 20.78 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 120.974 -1.079 . . . . 0.0 112.68 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -45.01 -43.43 9.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.243 1.417 . . . . 0.0 112.388 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -47.14 86.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.365 2.266 . . . . 0.0 110.541 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.52 -29.96 52.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.893 1.277 . . . . 0.0 111.808 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -75.94 -40.42 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.885 1.674 . . . . 0.0 110.58 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.21 -45.94 89.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.089 0.956 . . . . 0.0 110.845 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.9 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.368 0.667 . . . . 0.0 112.778 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.43 -53.37 57.46 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.49 1.516 . . . . 0.0 112.139 174.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.73 79.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.385 0.674 . . . . 0.0 111.818 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -70.71 -45.46 64.89 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.948 0.899 . . . . 0.0 112.059 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -60.79 -44.14 97.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.391 1.477 . . . . 0.0 112.11 171.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.51 -25.6 62.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.01 -37.83 78.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.023 0.829 . . . . 0.0 111.61 166.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.31 -37.99 84.25 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -20.48 65.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.94 0.896 . . . . 0.0 112.317 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -107.87 3.63 24.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.545 1.138 . . . . 0.0 112.682 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 C-N-CA 125.74 1.616 . . . . 0.0 112.362 170.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -55.35 -55.14 34.95 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.517 0.599 . . . . 0.0 112.09 171.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -61.71 -30.99 71.11 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -61.72 -64.08 1.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.767 2.027 . . . . 0.0 112.309 167.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.87 69.73 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.79 -55.31 15.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.746 1.618 . . . . 0.0 110.806 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.64 -43.41 62.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.636 2.088 . . . . 0.0 116.636 168.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -66.59 -40.15 88.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.914 1.286 . . . . 0.0 113.804 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.86 -40.19 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.534 1.133 . . . . 0.0 110.833 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -20.62 63.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.621 1.168 . . . . 0.0 113.627 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.05 -17.35 52.97 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.11 118.21 71.33 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.302 0.955 . . . . 0.0 111.743 -171.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.84 -38.45 0.36 Allowed 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.07 2.513 . . . . 0.0 114.836 -167.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -79.59 -10.9 59.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.156 0.982 . . . . 0.0 113.011 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.86 137.76 57.96 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.292 1.037 . . . . 0.0 110.296 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.3 2.9 p -73.67 151.24 40.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.27 -14.91 29.86 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.046 1.338 . . . . 0.0 113.026 173.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.03 -55.25 3.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.893 1.677 . . . . 0.0 112.653 165.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -50.83 -42.28 58.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.084 1.353 . . . . 0.0 113.028 -172.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -49.71 -53.17 26.3 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.507 1.523 . . . . 0.0 111.615 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.75 -29.39 69.36 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.72 2.008 . . . . 0.0 111.392 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.94 -43.5 95.88 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 119.534 1.061 . . . . 0.0 114.025 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.74 -44.39 33.35 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.03 -45.08 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.164 0.586 . . . . 0.0 111.755 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -51.5 -52.28 48.08 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.902 -0.499 . . . . 0.0 111.941 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -59.57 -30.23 68.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.503 1.521 . . . . 0.0 114.14 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.0 -25.8 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.829 2.052 . . . . 0.0 113.533 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -70.01 -34.27 73.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.06 0.544 . . . . 0.0 111.393 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -76.35 -52.22 10.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.019 2.528 . . . . 0.0 116.506 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -130.15 68.66 81.32 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -60.69 -18.41 55.25 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.306 2.67 . . . . 0.0 115.355 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -53.33 -35.35 60.1 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.025 -1.047 . . . . 0.0 113.042 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -97.72 23.55 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.469 1.107 . . . . 0.0 112.025 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.5 m -44.97 -37.97 4.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.679 1.192 . . . . 0.0 113.704 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.35 95.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.351 1.461 . . . . 0.0 111.843 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.75 -32.31 23.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.928 1.291 . . . . 0.0 110.615 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -66.64 -39.71 84.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.52 -0.738 . . . . 0.0 110.537 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.63 -41.93 98.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.922 0.889 . . . . 0.0 111.625 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.64 99.12 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.189 0.596 . . . . 0.0 111.484 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.98 -40.17 75.51 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.1 95.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.499 0.59 . . . . 0.0 111.045 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -65.0 -49.25 70.95 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.83 0.852 . . . . 0.0 112.5 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -32.57 70.73 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.28 -28.86 61.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.811 1.187 . . . . 0.0 113.127 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.54 -39.51 85.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.476 1.035 . . . . 0.0 111.209 168.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -31.15 71.09 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 114.301 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.52 64.95 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.354 -0.841 . . . . 0.0 112.973 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -101.33 -11.09 19.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.211 1.004 . . . . 0.0 112.899 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.003 0 C-N-CA 126.823 2.049 . . . . 0.0 112.098 163.84 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.89 -46.13 89.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.593 0.757 . . . . 0.0 112.148 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -60.07 -31.01 69.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.18 -51.86 33.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 112.455 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.64 73.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.747 . . . . 0.0 112.363 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.86 -52.91 37.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.653 1.581 . . . . 0.0 111.569 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.6 -45.77 38.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.78 -39.84 91.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.741 1.616 . . . . 0.0 113.997 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.56 -39.49 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.115 1.366 . . . . 0.0 111.71 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.34 -27.27 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.062 0.945 . . . . 0.0 113.412 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -79.47 -11.23 59.91 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.87 126.5 86.96 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 119.644 1.111 . . . . 0.0 112.721 -170.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.23 -32.59 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.049 2.5 . . . . 0.0 115.231 -169.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -88.93 -18.12 28.15 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.99 1.268 . . . . 0.0 112.555 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.08 133.84 52.5 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.225 1.41 . . . . 0.0 111.875 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.257 3.8 p -74.55 151.05 39.5 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.05 -21.95 66.73 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.4 175.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.29 -46.26 34.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.861 2.064 . . . . 0.0 113.848 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.16 -41.9 98.75 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.554 1.142 . . . . 0.0 111.773 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -49.81 -48.6 50.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.015 1.726 . . . . 0.0 111.865 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -53.01 -39.62 63.27 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 127.542 2.337 . . . . 0.0 112.476 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.33 -34.12 74.18 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 120.386 1.448 . . . . 0.0 114.378 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.79 -48.28 13.84 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.92 -50.41 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.82 0.448 . . . . 0.0 110.534 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -53.32 -53.64 48.05 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.334 0.587 . . . . 0.0 111.527 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -57.85 -29.81 65.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.585 1.154 . . . . 0.0 113.901 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -31.54 72.47 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.796 2.039 . . . . 0.0 112.729 172.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -72.53 -30.49 64.51 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.136 0.975 . . . . 0.0 111.309 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.07 -56.38 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -125.15 67.87 55.75 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -172.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -65.39 -12.61 35.7 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.353 2.035 . . . . 0.0 114.562 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -10.46 54.24 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.798 -1.189 . . . . 0.0 112.783 171.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -114.57 23.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.515 1.526 . . . . 0.0 113.425 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -38.92 -46.39 1.31 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.761 1.624 . . . . 0.0 114.179 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -40.12 79.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.5 1.92 . . . . 0.0 111.942 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.19 -29.11 21.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.883 1.273 . . . . 0.0 113.047 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -71.33 -38.88 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.03 0.932 . . . . 0.0 110.249 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.02 -44.55 94.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.014 0.526 . . . . 0.0 111.144 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.15 80.89 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.669 0.668 . . . . 0.0 112.775 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.41 -49.67 70.63 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.184 -0.947 . . . . 0.0 113.382 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.49 73.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -74.24 -43.75 55.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.785 1.234 . . . . 0.0 112.865 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -57.52 -47.94 80.63 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.588 1.955 . . . . 0.0 112.412 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.89 -31.77 64.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.451 0.7 . . . . 0.0 112.546 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.1 -36.23 82.91 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.507 -0.746 . . . . 0.0 110.552 166.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.4 -31.08 65.24 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.81 -22.27 61.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.624 1.17 . . . . 0.0 113.247 173.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.62 4.33 32.64 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.426 1.09 . . . . 0.0 112.704 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 C-N-CA 125.907 1.683 . . . . 0.0 112.956 169.324 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.45 152.42 43.1 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -117.02 -19.49 9.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.847 1.659 . . . . 0.0 113.501 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -145.16 154.33 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.925 1.69 . . . . 0.0 111.61 -162.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -76.77 -168.49 1.04 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -131.12 159.47 37.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.376 1.87 . . . . 0.0 109.636 165.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -60.6 -35.6 76.51 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -165.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.19 -37.4 23.68 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.612 1.096 . . . . 0.0 111.141 174.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.76 -52.68 61.82 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.929 0.892 . . . . 0.0 112.121 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -61.46 -36.5 80.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.901 0.773 . . . . 0.0 112.529 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.27 -55.32 36.41 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.769 1.228 . . . . 0.0 111.475 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.3 75.21 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.28 -50.87 17.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.773 1.229 . . . . 0.0 109.037 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.83 -48.31 59.92 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 165.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.58 -41.55 99.01 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.753 0.821 . . . . 0.0 113.154 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.72 -35.99 57.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.93 0.892 . . . . 0.0 111.285 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.25 -32.52 73.95 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.392 1.077 . . . . 0.0 112.844 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -72.85 -17.99 61.49 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.643 1.177 . . . . 0.0 113.831 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.46 119.71 78.34 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.024 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.56 -35.37 0.58 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.408 2.739 . . . . 0.0 115.373 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -81.72 0.43 38.95 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.997 1.271 . . . . 0.0 113.125 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.56 142.61 35.55 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.644 1.577 . . . . 0.0 110.565 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -86.58 159.48 19.23 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.68 -2.37 1.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.54 1.936 . . . . 0.0 113.198 170.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.29 -49.52 3.34 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.572 1.949 . . . . 0.0 113.484 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -57.51 -44.25 84.88 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.164 1.386 . . . . 0.0 111.442 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.71 -53.47 38.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.026 1.33 . . . . 0.0 111.146 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -56.24 -38.24 70.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.43 1.492 . . . . 0.0 111.39 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.02 -30.79 74.41 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 119.627 1.103 . . . . 0.0 114.748 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.99 -48.83 7.47 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.12 -49.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.043 0.838 . . . . 0.0 112.28 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -55.16 -49.15 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.878 0.847 . . . . 0.0 111.502 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -60.33 -28.28 68.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.597 1.959 . . . . 0.0 113.874 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -42.71 78.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.787 2.035 . . . . 0.0 111.524 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.91 -37.92 83.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.667 0.787 . . . . 0.0 111.12 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -66.9 -47.33 72.13 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -137.57 70.86 52.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 125.738 1.615 . . . . 0.0 115.295 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.69 -20.15 68.49 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.543 2.162 . . . . 0.0 115.228 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -58.41 -26.94 63.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.731 1.212 . . . . 0.0 113.058 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m -102.02 20.67 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.155 1.382 . . . . 0.0 112.826 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.1 m -48.15 -39.13 19.78 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.54 -40.35 74.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.506 1.922 . . . . 0.0 112.232 176.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.3 -29.05 20.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.233 1.413 . . . . 0.0 111.615 -173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -69.13 -38.47 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 0.0 110.26 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.83 -44.62 90.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.133 0.973 . . . . 0.0 111.555 170.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.01 69.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.59 -48.06 57.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 114.054 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.074 0.397 . . . . 0.0 111.292 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -63.58 -48.68 76.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.206 1.002 . . . . 0.0 111.337 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.44 -43.81 98.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.43 1.892 . . . . 0.0 112.585 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.74 -31.95 65.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.302 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.15 -37.43 87.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.288 0.949 . . . . 0.0 111.249 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.77 -26.56 64.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 114.92 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.31 63.79 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.141 -0.974 . . . . 0.0 112.478 171.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -98.31 -4.55 34.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 167.29 6.83 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 127.056 2.143 . . . . 0.0 113.304 164.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.83 170.43 2.03 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 125.189 3.926 . . . . 0.0 113.886 165.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.253 1.258 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.474 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 121.076 0.465 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.275 97.1 m-20 -82.42 46.99 1.1 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.73 -24.67 67.02 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.999 0.92 . . . . 0.0 112.361 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -114.04 138.59 50.18 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.985 1.714 . . . . 0.0 111.874 163.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -87.49 159.51 18.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -106.52 161.05 14.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.469 1.908 . . . . 0.0 110.653 172.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -57.85 -39.84 78.71 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -164.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -70.31 -43.23 70.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.609 0.64 . . . . 0.0 112.238 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -55.98 -54.69 41.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.243 1.017 . . . . 0.0 111.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.41 -34.92 78.8 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.028 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -56.76 17.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.066 1.346 . . . . 0.0 112.738 171.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.52 69.64 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -69.73 -55.85 8.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.978 1.311 . . . . 0.0 111.585 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -52.41 -47.04 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 168.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.12 -44.49 87.77 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.609 -0.682 . . . . 0.0 112.155 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.62 -35.55 73.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.963 1.305 . . . . 0.0 111.821 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.49 -28.72 70.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.947 0.899 . . . . 0.0 112.981 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -92.51 -7.53 47.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.13 123.59 89.68 Favored Pre-proline 0 CA--C 1.553 1.083 0 CA-C-N 120.003 1.274 . . . . 0.0 112.411 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -85.82 -34.52 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.651 3.568 . . . . 0.0 116.1 -167.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -84.77 -13.07 52.32 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 111.84 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.08 139.61 57.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.251 1.82 . . . . 0.0 110.932 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -76.62 153.56 35.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 166.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.2 -29.94 70.12 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -71.41 -48.37 50.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.268 1.027 . . . . 0.0 112.447 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -53.44 -42.18 66.84 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.609 1.164 . . . . 0.0 111.437 169.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -54.74 -50.63 67.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.294 1.438 . . . . 0.0 111.888 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -54.77 -41.82 70.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 110.344 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.35 11.3 1.59 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 126.659 2.076 . . . . 0.0 116.176 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -129.82 -42.07 1.29 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 1.414 . . . . 0.0 107.745 161.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -54.49 -47.48 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.383 0.992 . . . . 0.0 111.187 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.97 79.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -57.73 -34.79 69.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.264 1.425 . . . . 0.0 113.139 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.11 -40.38 78.39 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.362 1.865 . . . . 0.0 111.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -64.16 -42.54 96.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.455 0.702 . . . . 0.0 111.178 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -62.48 -37.77 87.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -143.0 68.61 18.06 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.877 1.271 . . . . 0.0 114.333 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.06 -15.01 46.83 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.181 2.587 . . . . 0.0 112.926 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -75.04 -4.91 41.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.042 1.337 . . . . 0.0 114.041 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.53 28.74 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.302 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -49.49 -35.32 19.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.319 1.048 . . . . 0.0 113.26 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -38.51 79.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.928 1.291 . . . . 0.0 111.872 176.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -88.16 -30.79 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.433 1.493 . . . . 0.0 112.445 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -70.0 -37.86 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 123.495 0.718 . . . . 0.0 110.648 169.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.23 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.308 0.643 . . . . 0.0 110.58 166.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.83 70.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.669 0.668 . . . . 0.0 112.707 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.96 -56.45 15.09 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.717 1.207 . . . . 0.0 113.143 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.77 78.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.831 0.453 . . . . 0.0 111.057 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -69.04 -46.33 68.18 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.395 1.078 . . . . 0.0 111.751 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.88 -45.86 92.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.739 1.616 . . . . 0.0 112.146 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.3 -34.37 74.59 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.983 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -65.75 -35.68 81.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.086 0.857 . . . . 0.0 111.519 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -71.5 -32.95 68.79 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.111 0.965 . . . . 0.0 112.247 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.38 -11.98 59.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.123 1.369 . . . . 0.0 114.313 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -110.52 2.89 19.07 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.897 1.279 . . . . 0.0 113.179 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 155.66 28.21 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 126.704 2.002 . . . . 0.0 112.982 165.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -67.2 159.81 50.44 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.807 3.004 . . . . 0.0 114.5 -174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 128.1 2.56 . . . . 0.0 112.72 -175.178 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.147 0.498 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -61.28 142.86 56.54 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.726 -0.609 . . . . 0.0 111.816 164.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.85 -47.0 61.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.857 -1.152 . . . . 0.0 112.555 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -89.33 129.55 35.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.112 0.965 . . . . 0.0 110.716 166.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.92 141.38 51.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -74.54 168.15 20.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.508 1.523 . . . . 0.0 110.708 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -55.28 -32.4 62.37 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 116.396 1.998 . . . . 0.0 116.396 -168.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -86.42 -40.77 15.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.215 1.406 . . . . 0.0 112.841 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.07 -50.25 74.03 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.499 1.52 . . . . 0.0 111.926 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.99 -26.36 68.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -72.59 -55.01 7.56 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.838 0.855 . . . . 0.0 111.336 170.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -35.96 75.6 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.73 -54.48 15.85 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.109 1.364 . . . . 0.0 112.004 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -39.03 60.13 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 167.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.71 -42.37 74.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.179 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.84 -30.62 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.027 1.331 . . . . 0.0 111.704 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.65 -39.99 95.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.982 0.913 . . . . 0.0 112.15 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -71.79 -15.0 62.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.85 115.86 53.7 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 119.295 0.952 . . . . 0.0 110.585 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.0 -37.9 0.51 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.634 2.223 . . . . 0.0 114.694 -166.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -79.74 -20.46 46.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 0.0 112.866 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.46 137.63 23.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.348 1.459 . . . . 0.0 110.078 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.33 2.0 p -75.26 149.65 38.78 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 173.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -66.63 -13.3 60.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.196 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -79.59 -56.44 4.3 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.696 1.599 . . . . 0.0 113.52 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -54.83 -41.38 70.62 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.194 1.397 . . . . 0.0 112.365 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -48.57 -50.21 33.32 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.842 1.257 . . . . 0.0 111.712 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.19 -30.11 66.17 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 127.199 2.2 . . . . 0.0 112.216 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 -39.73 76.9 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.092 1.315 . . . . 0.0 113.53 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -80.03 -43.44 21.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.39 -50.26 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.202 0.91 . . . . 0.0 110.248 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -53.74 -53.38 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.406 0.622 . . . . 0.0 111.434 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -55.08 -32.65 62.12 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.107 1.363 . . . . 0.0 113.72 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -43.73 71.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.337 1.855 . . . . 0.0 111.556 174.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -61.5 -35.33 77.39 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.288 0.635 . . . . 0.0 110.785 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -70.34 -49.17 52.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.59 1.156 . . . . 0.0 113.674 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -139.76 73.42 34.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.42 -12.64 36.53 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.327 2.018 . . . . 0.0 114.861 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -72.55 -11.09 60.51 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.179 1.354 . . . . 0.0 113.789 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.11 23.09 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.135 1.374 . . . . 0.0 112.954 172.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -52.48 -31.93 37.39 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.902 -1.124 . . . . 0.0 113.741 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -47.79 76.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.129 2.171 . . . . 0.0 111.604 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -78.32 -31.23 48.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.77 1.628 . . . . 0.0 111.791 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.922 0.889 . . . . 0.0 110.871 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.85 -45.74 89.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.7 0.8 . . . . 0.0 110.801 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.55 86.76 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.09 -50.99 71.03 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.425 -0.797 . . . . 0.0 112.814 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.82 83.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.841 0.456 . . . . 0.0 111.566 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -68.5 -48.6 64.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.895 0.878 . . . . 0.0 111.725 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -60.67 -43.8 97.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.399 1.879 . . . . 0.0 112.617 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.9 -30.09 66.34 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.112 0.869 . . . . 0.0 112.489 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -68.77 -35.74 77.44 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.243 -0.911 . . . . 0.0 111.618 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.87 -28.09 63.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.306 1.042 . . . . 0.0 113.395 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.25 93.72 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.156 -0.965 . . . . 0.0 111.076 170.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -99.57 2.9 45.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.126 0.97 . . . . 0.0 113.331 -168.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.05 158.79 0.88 Allowed Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 126.582 1.953 . . . . 0.0 114.161 168.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -55.87 156.16 20.34 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 123.878 3.052 . . . . 0.0 114.867 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt . . . . . 0 C--O 1.25 1.083 0 C-N-CA 125.778 1.631 . . . . 0.0 112.863 -175.108 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -69.95 153.79 42.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -75.11 -35.77 61.7 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.778 -0.576 . . . . 0.0 111.856 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -104.85 169.57 8.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.863 2.065 . . . . 0.0 111.593 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -72.59 155.13 40.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -84.8 158.96 20.54 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.516 1.127 . . . . 0.0 109.076 166.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -54.06 -50.34 66.97 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 120.531 1.514 . . . . 0.0 112.836 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -66.66 -27.31 67.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.683 1.593 . . . . 0.0 112.833 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -72.55 -54.51 8.99 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.346 1.058 . . . . 0.0 111.648 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -63.67 -34.63 78.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.673 0.669 . . . . 0.0 112.34 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.32 -51.5 69.68 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.264 0.483 . . . . 0.0 111.648 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.73 74.42 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -68.71 -54.84 13.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.282 1.433 . . . . 0.0 114.056 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.61 -44.09 65.8 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 166.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.97 -41.31 97.59 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.66 -34.79 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.122 1.369 . . . . 0.0 111.504 174.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.53 -35.55 80.85 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.642 1.177 . . . . 0.0 112.679 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -69.88 -18.73 63.43 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.226 1.01 . . . . 0.0 113.533 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -75.44 115.14 42.73 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.388 1.075 . . . . 0.0 111.396 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.29 -33.16 0.57 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.031 2.487 . . . . 0.0 115.542 -166.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -80.66 -20.3 43.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.155 0.889 . . . . 0.0 112.026 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.88 140.21 43.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.514 1.525 . . . . 0.0 110.298 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -81.77 149.67 28.28 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.53 -32.41 67.05 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.77 0.795 . . . . 0.0 110.471 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -67.72 -48.51 66.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.07 2.148 . . . . 0.0 113.996 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -61.28 -39.91 92.18 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.47 1.108 . . . . 0.0 112.034 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -54.78 -43.49 72.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.344 1.058 . . . . 0.0 111.842 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -50.14 -39.97 44.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.845 2.058 . . . . 0.0 112.916 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.63 -29.92 74.35 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 119.456 1.025 . . . . 0.0 114.55 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.16 -46.47 9.73 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.23 -48.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.715 0.806 . . . . 0.0 110.997 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -54.38 -54.46 40.32 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.995 0.426 . . . . 0.0 111.939 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -57.26 -31.84 65.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.345 1.058 . . . . 0.0 113.85 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -36.57 84.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.745 1.218 . . . . 0.0 112.061 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.19 -45.32 81.24 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.385 -0.822 . . . . 0.0 110.527 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -66.33 -51.98 51.78 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -125.87 63.45 47.54 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.193 1.797 . . . . 0.0 113.717 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -62.11 -18.59 62.72 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.975 2.45 . . . . 0.0 113.966 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.0 p -68.73 -6.11 24.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.818 2.047 . . . . 0.0 115.414 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.23 26.3 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.327 1.451 . . . . 0.0 112.1 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -51.89 -33.08 35.25 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.609 -1.307 . . . . 0.0 113.606 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.75 75.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.718 1.607 . . . . 0.0 112.319 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.79 -27.08 20.23 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.124 1.37 . . . . 0.0 111.233 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -73.87 -42.58 53.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.58 1.152 . . . . 0.0 110.9 170.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.26 -41.12 83.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.704 0.801 . . . . 0.0 110.941 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.49 82.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.708 . . . . 0.0 112.447 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.97 -46.47 65.15 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.283 1.033 . . . . 0.0 113.509 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.75 80.97 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.155 0.434 . . . . 0.0 110.393 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.16 -53.04 51.04 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.074 0.95 . . . . 0.0 111.99 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -29.29 69.2 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -77.78 -31.09 51.71 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.314 0.961 . . . . 0.0 113.59 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -66.54 -38.38 87.02 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.905 1.23 . . . . 0.0 110.984 167.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.72 -29.78 69.11 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.073 1.749 . . . . 0.0 114.519 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.95 55.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.53 1.132 . . . . 0.0 113.836 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -100.92 -7.75 23.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.674 1.189 . . . . 0.0 112.969 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 167.72 6.94 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.239 1.816 . . . . 0.0 112.535 165.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.8 141.04 95.59 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.89 3.06 . . . . 0.0 113.573 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.076 0.951 . . . . 0.0 113.002 174.69 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 119.108 -0.472 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -65.87 133.45 50.96 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 168.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -135.55 -5.61 2.25 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.962 2.105 . . . . 0.0 113.513 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -150.32 138.11 19.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.218 2.207 . . . . 0.0 111.754 -173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -66.11 162.92 18.6 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 -169.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -85.67 164.0 17.93 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.377 1.471 . . . . 0.0 111.42 166.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -21.53 65.24 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 -164.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -95.38 -33.05 12.65 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.814 1.188 . . . . 0.0 112.343 167.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -54.08 -53.79 48.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.759 0.709 . . . . 0.0 111.749 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.59 -33.07 70.99 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.56 0.618 . . . . 0.0 112.369 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -66.63 -60.61 2.56 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.984 1.714 . . . . 0.0 113.099 172.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.0 70.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.83 -56.41 12.04 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.684 1.594 . . . . 0.0 112.533 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -41.93 63.67 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.86 -40.33 91.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.77 1.228 . . . . 0.0 113.015 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.35 -40.62 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 119.667 1.121 . . . . 0.0 111.054 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.78 -23.72 66.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.129 0.972 . . . . 0.0 112.981 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -78.3 -10.78 59.81 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.23 127.22 69.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.214 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -87.71 -36.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.694 2.929 . . . . 0.0 115.065 -172.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -80.1 -18.63 49.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.305 -0.872 . . . . 0.0 112.0 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.5 135.25 57.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.417 1.487 . . . . 0.0 110.419 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.288 2.5 p -76.89 152.52 35.36 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 174.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.85 -24.98 60.0 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 172.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.14 -45.83 15.83 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.44 1.896 . . . . 0.0 112.102 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.38 -44.23 92.8 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.825 1.25 . . . . 0.0 112.82 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -44.65 -48.62 10.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.919 1.688 . . . . 0.0 111.393 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -55.27 -41.39 72.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.124 1.77 . . . . 0.0 113.156 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.34 72.72 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.103 -0.998 . . . . 0.0 114.456 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -90.93 -49.44 6.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.96 -49.28 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.227 1.011 . . . . 0.0 111.686 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -44.1 97.9 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -60.21 -32.56 71.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.294 1.038 . . . . 0.0 112.751 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -27.99 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.8 1.64 . . . . 0.0 113.564 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -71.55 -41.0 69.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.85 0.86 . . . . 0.0 110.831 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -70.69 -52.37 21.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.868 2.067 . . . . 0.0 115.631 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -129.64 63.89 69.72 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 126.65 1.98 . . . . 0.0 115.223 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -61.03 -13.8 29.63 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.395 2.73 . . . . 0.0 113.635 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -60.06 -17.66 41.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 113.048 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.23 26.61 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.964 1.705 . . . . 0.0 113.232 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -43.57 -41.08 4.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.763 1.225 . . . . 0.0 113.712 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -35.08 76.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.728 2.411 . . . . 0.0 112.213 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -86.63 -35.42 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.376 1.07 . . . . 0.0 112.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.67 -40.56 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.657 0.783 . . . . 0.0 111.174 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.98 -43.91 98.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.338 0.655 . . . . 0.0 110.833 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.98 85.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.76 -45.51 67.91 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.147 0.979 . . . . 0.0 113.192 173.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.44 75.15 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.195 0.452 . . . . 0.0 110.823 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.89 -53.18 34.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.437 1.095 . . . . 0.0 112.22 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -22.62 64.96 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.48 -28.13 31.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.983 0.913 . . . . 0.0 113.373 169.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.31 -39.55 74.73 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.218 -0.926 . . . . 0.0 111.393 167.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.09 -34.61 78.82 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.585 1.954 . . . . 0.0 109.985 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.25 -23.52 57.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -104.99 -1.62 25.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.493 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 151.67 30.1 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 126.055 1.742 . . . . 0.0 114.114 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.11 171.61 17.57 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 125.015 3.81 . . . . 0.0 113.698 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttp . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.144 1.378 . . . . 0.0 113.679 162.295 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -76.71 96.89 4.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.161 0.984 . . . . 0.0 110.695 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -106.83 -27.95 10.43 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.808 1.243 . . . . 0.0 113.861 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -154.78 140.17 17.73 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.606 1.563 . . . . 0.0 111.627 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -89.56 168.15 12.39 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -91.05 166.35 13.04 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.863 -0.523 . . . . 0.0 111.009 165.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -65.38 -12.98 57.44 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -172.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -101.1 -37.91 8.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -56.33 -51.58 67.73 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.795 0.838 . . . . 0.0 111.947 170.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.17 -25.1 65.08 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.28 -65.65 0.65 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.117 1.767 . . . . 0.0 111.696 167.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.78 68.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.73 -55.5 7.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.208 1.003 . . . . 0.0 111.009 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -52.65 -42.99 65.18 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.61 -51.01 70.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.654 1.182 . . . . 0.0 112.949 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.69 -31.27 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.793 1.237 . . . . 0.0 111.372 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 41.7 mt -62.69 -33.55 75.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.766 0.827 . . . . 0.0 113.025 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.37 -27.11 38.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -173.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.1 120.63 63.13 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 119.157 0.89 . . . . 0.0 112.408 -166.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.63 -41.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.959 2.439 . . . . 0.0 115.321 -166.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.58 -19.81 51.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.403 0.681 . . . . 0.0 111.5 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.36 133.63 56.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.375 1.87 . . . . 0.0 110.616 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -73.44 153.81 40.23 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.231 -0.293 . . . . 0.0 111.621 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -66.12 -27.12 67.81 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.283 0.563 . . . . 0.0 111.13 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -67.9 -48.78 65.07 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.162 1.785 . . . . 0.0 113.427 174.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.41 -44.29 88.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.851 1.261 . . . . 0.0 110.854 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 23.5 ttm-85 -51.39 -50.85 58.8 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.227 1.411 . . . . 0.0 111.247 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -53.05 -44.55 67.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.742 1.217 . . . . 0.0 111.595 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.33 -22.34 63.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.803 1.192 . . . . 0.0 115.875 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.49 -47.24 5.74 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.427 1.613 . . . . 0.0 106.651 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.35 -50.48 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.886 1.221 . . . . 0.0 111.809 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -53.73 -54.01 44.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.544 0.338 . . . . 0.0 111.827 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -61.61 -22.92 65.66 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -43.18 80.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 120.284 1.402 . . . . 0.0 111.651 167.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.19 -41.75 99.24 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 121.42 -0.8 . . . . 0.0 110.943 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.47 -47.84 45.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.521 1.528 . . . . 0.0 114.623 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -131.11 60.7 54.89 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.484 1.914 . . . . 0.0 115.858 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.09 -16.0 51.6 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.213 2.609 . . . . 0.0 114.477 -173.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -68.48 -14.59 63.11 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.721 -1.237 . . . . 0.0 113.547 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.51 25.5 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.451 1.1 . . . . 0.0 112.483 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.8 p -45.35 -38.26 5.65 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.766 1.227 . . . . 0.0 113.873 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -46.66 82.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.313 1.845 . . . . 0.0 110.672 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.71 -32.94 53.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.984 1.714 . . . . 0.0 112.765 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.52 -41.3 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.057 0.943 . . . . 0.0 110.252 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.55 -40.8 97.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.524 0.73 . . . . 0.0 111.433 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.46 91.18 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.259 0.936 . . . . 0.0 112.156 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.29 -44.31 65.44 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.372 1.069 . . . . 0.0 112.942 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.71 77.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.677 0.671 . . . . 0.0 111.38 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -69.04 -52.54 27.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.399 1.08 . . . . 0.0 112.443 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -29.08 69.82 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.729 1.15 . . . . 0.0 113.633 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -29.91 44.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.748 1.158 . . . . 0.0 113.215 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -69.65 -45.87 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.929 1.241 . . . . 0.0 111.002 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.1 -21.43 56.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.33 -40.51 70.69 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.968 -0.457 . . . . 0.0 111.948 164.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -81.92 -3.71 54.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.879 0.872 . . . . 0.0 113.197 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.47 97.95 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.909 1.683 . . . . 0.0 111.75 162.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -62.86 145.95 94.81 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 124.163 3.242 . . . . 0.0 113.18 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt . . . . . 0 C--O 1.255 1.362 0 C-N-CA 126.488 1.915 . . . . 0.0 113.209 -171.644 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.862 0.363 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.53 165.51 16.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -71.69 -7.35 47.47 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -83.67 161.02 21.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.038 1.335 . . . . 0.0 113.149 174.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -141.35 173.83 11.12 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -83.9 164.01 19.69 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 110.22 163.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -56.2 -56.23 23.51 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.868 1.267 . . . . 0.0 114.395 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.67 -35.21 80.28 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.326 1.05 . . . . 0.0 111.814 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -61.96 -53.52 54.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.457 0.571 . . . . 0.0 112.176 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -66.19 -33.12 75.04 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.322 0.965 . . . . 0.0 112.604 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.82 -55.45 32.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.134 0.974 . . . . 0.0 112.648 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.54 73.37 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.77 -55.29 13.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.192 1.797 . . . . 0.0 113.469 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.32 -43.84 64.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 166.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -66.44 -38.78 88.16 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.68 -40.94 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.379 1.072 . . . . 0.0 110.76 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.51 -22.98 67.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.766 1.226 . . . . 0.0 113.815 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -20.83 60.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.23 119.47 76.54 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.069 0.947 . . . . 0.0 112.043 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.72 -36.58 0.58 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.72 2.947 . . . . 0.0 114.907 -167.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.46 -21.24 28.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.075 0.95 . . . . 0.0 111.161 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.07 135.82 57.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.847 2.059 . . . . 0.0 111.237 173.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -80.96 152.9 27.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -53.74 -37.01 62.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.48 0.712 . . . . 0.0 110.881 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.81 -50.13 58.48 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.226 1.01 . . . . 0.0 112.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.13 -43.62 78.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.245 1.018 . . . . 0.0 111.933 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -53.64 -48.61 69.22 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.519 1.128 . . . . 0.0 111.852 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -55.63 -37.23 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.624 1.57 . . . . 0.0 111.28 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.57 -19.83 75.05 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 119.944 1.247 . . . . 0.0 115.805 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.19 -47.37 6.67 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.24 -48.25 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.278 0.945 . . . . 0.0 111.372 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -53.92 -51.73 62.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.118 0.961 . . . . 0.0 111.846 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 m -58.47 -31.24 67.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.811 1.644 . . . . 0.0 113.436 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -31.02 71.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.718 1.607 . . . . 0.0 112.228 172.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -72.27 -39.18 68.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.234 1.014 . . . . 0.0 111.666 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -68.69 -60.35 2.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.995 1.318 . . . . 0.0 113.527 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -123.23 62.49 21.17 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -170.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -66.06 -7.6 17.55 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.64 2.226 . . . . 0.0 113.703 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -63.53 -11.17 22.06 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.362 1.465 . . . . 0.0 114.527 163.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -121.66 24.72 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.863 1.665 . . . . 0.0 112.436 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -40.18 -45.16 1.98 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.605 1.562 . . . . 0.0 114.424 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' H ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.33 -44.05 79.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.938 2.895 . . . . 0.0 111.233 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.27 -31.06 25.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.444 1.497 . . . . 0.0 112.076 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -69.2 -40.04 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.488 0.715 . . . . 0.0 110.493 173.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 -43.42 84.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.425 0.69 . . . . 0.0 110.691 166.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.2 86.29 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.172 0.589 . . . . 0.0 112.571 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.65 -43.03 77.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.516 1.053 . . . . 0.0 113.518 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.03 85.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.871 0.305 . . . . 0.0 110.894 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -66.55 -52.31 47.09 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.271 1.028 . . . . 0.0 112.485 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -26.36 66.77 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.86 -35.18 57.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.197 0.908 . . . . 0.0 112.578 168.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.4 -37.29 86.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.522 1.056 . . . . 0.0 111.616 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.38 -35.0 78.45 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.492 1.117 . . . . 0.0 111.154 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.37 -32.91 72.25 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.35 -2.42 56.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.055 1.342 . . . . 0.0 113.378 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.73 154.65 91.23 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.989 1.315 . . . . 0.0 112.718 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.49 167.43 26.39 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.389 3.393 . . . . 0.0 112.288 167.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 123.591 0.756 . . . . 0.0 112.774 170.17 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.19 140.67 52.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -139.18 -3.22 1.58 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.796 1.638 . . . . 0.0 114.487 163.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -162.1 137.07 7.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.028 1.731 . . . . 0.0 111.128 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 31.2 m-85 -74.93 167.97 20.86 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -89.08 162.1 16.17 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.586 1.554 . . . . 0.0 111.256 164.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -60.94 -47.87 84.42 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -170.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.81 -37.25 70.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.433 0.693 . . . . 0.0 112.164 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -53.75 -57.11 12.03 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.835 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -57.64 -36.08 71.37 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.909 0.777 . . . . 0.0 113.027 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.42 -59.62 4.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.229 1.412 . . . . 0.0 113.449 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.65 70.04 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.91 -56.52 7.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.619 1.968 . . . . 0.0 113.018 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -41.43 62.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.89 -37.01 83.58 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.3 mt -68.25 -39.03 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 111.374 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.88 -22.35 66.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.845 1.258 . . . . 0.0 113.631 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -73.65 -27.55 61.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.42 1.488 . . . . 0.0 113.998 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.13 125.52 87.82 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.097 0.959 . . . . 0.0 112.633 -163.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -81.9 -34.72 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.688 2.925 . . . . 0.0 115.275 -171.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -84.67 -18.33 35.68 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.596 1.089 . . . . 0.0 112.653 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.22 137.79 58.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.685 1.594 . . . . 0.0 111.063 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 p -85.7 154.55 21.57 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -63.45 -21.38 66.27 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -70.77 -51.11 29.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.598 -1.314 . . . . 0.0 113.669 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -60.34 -48.84 80.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.669 1.188 . . . . 0.0 112.002 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -49.65 -55.85 12.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.627 1.571 . . . . 0.0 111.644 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -29.98 44.81 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.624 1.97 . . . . 0.0 113.072 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.26 -41.73 37.45 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.472 1.033 . . . . 0.0 113.845 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.56 -43.49 38.75 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 mt -56.41 -48.06 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 110.419 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -53.47 -54.05 42.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 120.943 0.401 . . . . 0.0 111.596 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -58.24 -29.88 66.09 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.84 -29.12 66.3 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.516 1.053 . . . . 0.0 113.449 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.93 -42.24 73.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.328 0.651 . . . . 0.0 110.809 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.86 -47.6 37.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.768 1.627 . . . . 0.0 114.111 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -133.02 61.61 57.05 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 127.192 2.197 . . . . 0.0 114.714 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -58.47 -16.7 30.61 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.362 2.708 . . . . 0.0 113.796 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -57.05 -30.69 64.47 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.218 1.407 . . . . 0.0 113.385 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.88 23.26 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.549 1.14 . . . . 0.0 112.818 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -46.28 -37.09 6.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.44 76.09 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.21 2.204 . . . . 0.0 112.168 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -85.35 -33.97 21.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.648 1.179 . . . . 0.0 111.798 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -67.61 -41.95 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.098 -1.001 . . . . 0.0 111.083 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.94 -47.36 85.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.227 0.467 . . . . 0.0 110.307 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.87 77.3 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.18 -48.98 66.31 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.273 1.029 . . . . 0.0 113.657 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.12 85.66 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.199 0.524 . . . . 0.0 111.514 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.67 -45.85 64.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.275 1.03 . . . . 0.0 111.737 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.24 -50.26 73.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.131 1.772 . . . . 0.0 112.117 170.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.56 -24.76 61.98 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.031 0.832 . . . . 0.0 112.657 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -69.32 -34.62 74.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.14 0.882 . . . . 0.0 111.37 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.76 -32.55 62.09 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.946 0.879 . . . . 0.0 112.643 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.15 69.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.132 0.973 . . . . 0.0 112.13 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -100.21 1.96 42.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.945 1.298 . . . . 0.0 113.218 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.97 169.37 6.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 126.77 2.028 . . . . 0.0 112.064 164.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -59.13 161.94 15.05 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.153 3.235 . . . . 0.0 114.194 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp . . . . . 0 C--O 1.256 1.41 0 CA-C-O 116.093 -1.908 . . . . 0.0 113.891 -178.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 119.783 -0.151 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -90.47 148.56 22.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.014 1.326 . . . . 0.0 113.427 168.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -124.81 -21.74 4.69 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 151.61 26.97 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.03 1.732 . . . . 0.0 112.134 168.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -62.07 157.92 17.8 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -81.63 158.25 24.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.285 0.634 . . . . 0.0 109.904 167.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.19 -40.92 97.67 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.779 1.172 . . . . 0.0 112.678 -174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -68.56 -34.29 75.57 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.852 1.261 . . . . 0.0 112.812 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -64.34 -58.61 6.0 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.975 0.91 . . . . 0.0 111.413 171.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.89 -36.27 76.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.509 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -58.16 -57.91 10.78 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -25.67 67.35 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -73.33 -56.63 4.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.798 1.639 . . . . 0.0 112.528 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -39.57 71.65 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.66 -45.82 92.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.859 0.864 . . . . 0.0 112.621 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.51 -37.31 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.966 1.307 . . . . 0.0 111.291 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.64 -19.54 40.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.329 1.052 . . . . 0.0 113.491 172.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -98.9 -7.83 26.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.37 124.98 91.62 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 120.413 1.461 . . . . 0.0 111.059 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -87.99 -30.56 0.25 Allowed 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.078 2.519 . . . . 0.0 115.75 -165.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -85.74 -22.26 27.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.842 -1.161 . . . . 0.0 111.402 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.02 133.86 55.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.06 2.144 . . . . 0.0 111.596 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -78.26 154.44 30.98 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -26.68 63.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.252 1.021 . . . . 0.0 112.874 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -74.7 -47.54 30.92 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.377 1.871 . . . . 0.0 113.731 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 124.479 1.112 . . . . 0.0 111.493 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -43.84 -57.85 3.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.943 2.097 . . . . 0.0 111.818 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.2 -45.64 23.31 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.803 1.641 . . . . 0.0 112.786 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.33 86.96 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-N 119.667 1.121 . . . . 0.0 113.912 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -82.03 -48.82 10.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.4 mt -57.02 -52.93 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.058 0.943 . . . . 0.0 112.256 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -52.51 -50.62 62.42 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.596 0.712 . . . . 0.0 111.426 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.6 m -61.11 -26.52 67.73 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.253 1.421 . . . . 0.0 114.228 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.13 -32.38 61.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.817 2.047 . . . . 0.0 112.902 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -68.41 -34.74 76.54 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.982 -0.449 . . . . 0.0 110.57 170.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.31 -64.43 0.86 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -121.3 69.29 20.7 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.077 1.751 . . . . 0.0 113.393 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -64.71 -8.84 18.74 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.858 2.372 . . . . 0.0 113.875 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -62.47 -35.3 78.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.744 1.617 . . . . 0.0 113.079 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -97.16 24.34 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.711 1.604 . . . . 0.0 112.364 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.3 p -30.32 -48.88 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.786 2.435 . . . . 0.0 114.165 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.85 -41.05 99.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.764 2.026 . . . . 0.0 111.738 -178.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.04 -31.18 23.57 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.499 1.12 . . . . 0.0 111.998 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.27 -42.64 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.694 0.797 . . . . 0.0 109.947 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.23 -44.18 97.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.546 0.739 . . . . 0.0 111.457 170.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.01 74.7 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.15 0.886 . . . . 0.0 113.196 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.2 -51.32 54.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.37 1.068 . . . . 0.0 112.573 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.8 75.24 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 117.945 0.339 . . . . 0.0 111.618 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.49 -51.69 54.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.343 1.057 . . . . 0.0 111.406 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -60.63 -41.06 94.15 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.749 1.219 . . . . 0.0 113.03 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.09 -27.8 60.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.985 0.514 . . . . 0.0 112.337 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.09 -35.81 76.9 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.091 -1.006 . . . . 0.0 111.073 166.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -38.45 90.61 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.191 1.397 . . . . 0.0 114.113 173.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.1 65.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.772 1.629 . . . . 0.0 113.169 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -112.72 -6.63 13.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.461 1.104 . . . . 0.0 111.93 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 147.85 94.37 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 126.415 1.886 . . . . 0.0 112.843 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.34 150.14 81.02 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.647 3.565 . . . . 0.0 112.941 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.949 1.7 . . . . 0.0 112.686 174.68 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.363 91.6 m-20 56.77 26.69 11.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.11 -37.2 84.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.243 1.417 . . . . 0.0 113.812 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.86 149.97 36.09 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.239 1.016 . . . . 0.0 113.55 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.53 168.65 19.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.148 2.179 . . . . 0.0 116.506 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -88.42 166.8 13.99 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.281 1.033 . . . . 0.0 111.559 167.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.73 -40.64 93.12 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.17 -37.69 72.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.108 0.963 . . . . 0.0 111.853 174.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.79 -52.6 49.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.535 1.134 . . . . 0.0 112.409 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.31 -27.99 69.0 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -66.98 -50.92 60.75 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.763 1.225 . . . . 0.0 112.747 168.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.75 72.81 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.153 0.888 . . . . 0.0 112.833 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -70.68 -52.35 21.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.392 1.477 . . . . 0.0 109.889 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -49.57 -44.78 47.13 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 166.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -69.69 -40.43 76.37 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.894 1.278 . . . . 0.0 113.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.79 -39.69 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.759 1.224 . . . . 0.0 110.878 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.84 -26.89 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.409 1.083 . . . . 0.0 112.922 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -21.94 61.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.7 114.63 38.42 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 119.982 1.264 . . . . 0.0 111.478 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.63 -29.66 0.74 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.25 2.633 . . . . 0.0 114.482 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.83 -11.02 59.85 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.416 -0.803 . . . . 0.0 111.028 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.31 130.26 39.35 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.986 1.714 . . . . 0.0 110.645 172.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 p -79.37 156.71 27.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.363 0.665 . . . . 0.0 112.784 168.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.37 -33.34 72.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 111.361 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -69.13 -31.99 71.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.424 1.49 . . . . 0.0 114.623 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.42 -43.69 31.7 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.1 1.36 . . . . 0.0 111.308 170.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -51.02 -49.08 61.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.932 2.093 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -45.14 -45.94 11.61 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.398 1.879 . . . . 0.0 113.912 172.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.97 72.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-N 119.29 0.95 . . . . 0.0 114.079 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.12 -49.39 6.78 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -56.59 -50.99 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.58 1.082 . . . . 0.0 111.576 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.93 -47.6 84.47 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.304 0.574 . . . . 0.0 111.687 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.8 m -55.99 -33.91 65.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.764 1.626 . . . . 0.0 113.724 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -41.09 87.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.373 1.869 . . . . 0.0 111.912 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -65.56 -34.47 78.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.603 -0.685 . . . . 0.0 111.455 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -75.5 -46.04 34.68 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.911 1.284 . . . . 0.0 113.546 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -141.1 77.42 20.48 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.788 1.635 . . . . 0.0 115.138 -174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.99 -9.65 26.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.926 2.417 . . . . 0.0 114.482 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -64.24 -15.3 59.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.867 1.267 . . . . 0.0 114.32 173.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.54 23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.211 1.404 . . . . 0.0 110.777 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -51.86 -34.87 42.81 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.277 1.399 . . . . 0.0 113.793 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.04 82.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.376 1.07 . . . . 0.0 111.976 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.63 -35.87 57.79 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.94 1.696 . . . . 0.0 110.536 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.14 -41.66 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.973 1.309 . . . . 0.0 110.414 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.21 -44.49 95.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.493 0.717 . . . . 0.0 110.673 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.9 83.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.014 0.526 . . . . 0.0 112.238 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.31 -43.45 81.65 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.1 -1.0 . . . . 0.0 113.652 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.765 0.317 . . . . 0.0 111.146 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.24 -44.32 72.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.383 1.073 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.94 -45.08 93.77 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 127.557 2.343 . . . . 0.0 112.464 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.62 -33.73 64.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.049 0.539 . . . . 0.0 112.133 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.71 -33.73 75.7 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.988 0.813 . . . . 0.0 111.088 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.13 -35.99 74.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.89 62.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.882 1.273 . . . . 0.0 113.308 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -106.97 0.03 23.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.396 1.078 . . . . 0.0 112.726 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 151.45 85.45 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.218 1.407 . . . . 0.0 112.773 168.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.18 154.44 72.34 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 124.108 3.205 . . . . 0.0 112.033 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.042 2.137 . . . . 0.0 112.266 177.09 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -73.84 137.09 43.56 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.167 -0.958 . . . . 0.0 112.213 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.46 4.92 37.62 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.613 1.565 . . . . 0.0 113.568 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -145.37 159.57 42.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.398 1.079 . . . . 0.0 113.715 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -95.91 173.17 7.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.264 1.826 . . . . 0.0 115.809 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -98.03 168.28 10.38 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.355 1.062 . . . . 0.0 109.997 162.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.03 -41.76 97.32 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -170.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.0 -32.77 57.41 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.164 0.893 . . . . 0.0 112.162 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -53.84 -58.18 8.2 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.592 -0.692 . . . . 0.0 111.708 164.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -64.36 -25.4 68.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.633 1.106 . . . . 0.0 113.958 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -61.72 -69.48 0.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.913 1.285 . . . . 0.0 112.055 164.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.86 65.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.57 -58.21 3.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.974 1.71 . . . . 0.0 111.209 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.03 -44.36 64.18 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 170.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.67 -47.04 82.84 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.821 0.848 . . . . 0.0 112.401 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.17 -36.58 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.427 0.558 . . . . 0.0 110.93 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.78 -23.13 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 170.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.29 -28.75 18.57 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.75 121.11 32.21 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.53 1.132 . . . . 0.0 112.885 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.15 -35.9 3.72 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.425 2.75 . . . . 0.0 115.915 -160.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -87.64 -5.34 58.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.704 1.202 . . . . 0.0 112.032 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.34 134.8 39.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.557 1.543 . . . . 0.0 110.404 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 p -74.26 154.8 38.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.181 0.515 . . . . 0.0 112.018 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.46 -29.49 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.224 -0.298 . . . . 0.0 111.615 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -68.02 -55.31 13.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.213 1.405 . . . . 0.0 113.667 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -55.0 -42.77 72.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.183 0.993 . . . . 0.0 111.507 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -42.66 -52.19 4.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.489 1.516 . . . . 0.0 112.31 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -55.06 -42.58 72.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.214 0.915 . . . . 0.0 112.585 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.36 -6.65 49.15 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -111.18 -47.55 3.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 168.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.7 -48.43 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.89 1.276 . . . . 0.0 111.069 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -58.6 -51.92 67.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.085 0.469 . . . . 0.0 111.748 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 m -54.69 -32.62 59.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.622 1.169 . . . . 0.0 113.334 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.77 -31.97 70.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.535 1.134 . . . . 0.0 113.803 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.85 -35.92 81.15 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.835 -0.54 . . . . 0.0 110.477 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.31 -45.5 14.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.137 1.375 . . . . 0.0 113.967 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -133.14 59.2 40.38 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.244 1.818 . . . . 0.0 113.494 -169.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -59.27 -18.55 45.59 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.33 3.354 . . . . 0.0 114.6 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -64.44 -19.7 65.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.635 1.561 . . . . 0.0 113.101 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -101.39 23.47 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.878 -1.139 . . . . 0.0 111.9 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -46.5 -41.57 14.29 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.896 -1.127 . . . . 0.0 113.661 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.94 -36.7 82.17 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.609 2.364 . . . . 0.0 111.977 179.561 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.2 -36.27 24.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.661 1.585 . . . . 0.0 111.049 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.16 -38.94 72.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.382 1.473 . . . . 0.0 110.517 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.01 -48.88 79.87 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.933 0.893 . . . . 0.0 110.219 167.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.06 -40.75 81.81 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.63 -47.8 79.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.4 87.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.892 0.477 . . . . 0.0 111.64 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.06 -45.19 67.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.813 1.245 . . . . 0.0 111.953 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.75 -47.73 84.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 172.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.44 -29.96 67.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.188 0.904 . . . . 0.0 112.094 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.52 -38.19 88.95 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.233 -0.917 . . . . 0.0 111.295 167.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -35.02 74.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.64 61.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.382 1.473 . . . . 0.0 113.216 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -115.33 3.92 14.3 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.233 1.413 . . . . 0.0 112.066 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.71 92.43 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.769 1.628 . . . . 0.0 111.529 163.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.35 146.32 85.49 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 124.628 3.552 . . . . 0.0 112.953 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.842 1.657 . . . . 0.0 113.009 175.756 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.667 0.27 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.269 0.6 OUTLIER -141.7 7.46 1.89 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 -175.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -78.02 -30.81 50.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.967 0.907 . . . . 0.0 112.521 173.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -122.87 112.57 18.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.99 2.516 . . . . 0.0 109.285 161.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -69.17 154.82 41.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -69.75 164.76 22.83 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.495 1.518 . . . . 0.0 111.153 165.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.29 -45.28 93.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.33 0.968 . . . . 0.0 112.972 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -68.54 -38.06 80.51 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.382 -0.824 . . . . 0.0 113.081 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.09 -54.15 42.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.504 -0.748 . . . . 0.0 112.249 174.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -32.39 73.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.335 0.654 . . . . 0.0 111.741 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.19 -57.93 8.9 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.177 1.391 . . . . 0.0 112.07 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -31.41 66.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -68.37 -57.88 5.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.609 1.564 . . . . 0.0 113.302 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -44.81 27.54 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 166.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -64.21 -44.09 93.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.421 1.088 . . . . 0.0 113.23 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.44 -30.79 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.704 1.202 . . . . 0.0 111.935 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.34 -32.86 74.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.15 0.98 . . . . 0.0 112.534 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.19 -24.68 57.86 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.86 119.5 69.88 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.225 1.01 . . . . 0.0 112.314 -168.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.89 -35.28 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.953 2.435 . . . . 0.0 114.979 -166.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -78.86 -22.3 46.24 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.212 0.914 . . . . 0.0 112.528 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.05 141.1 51.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.126 2.171 . . . . 0.0 111.273 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -91.01 160.01 15.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 173.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.53 -33.79 74.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.805 0.812 . . . . 0.0 111.816 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.21 -43.34 98.41 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.079 1.351 . . . . 0.0 112.823 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.71 -49.77 64.97 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 111.785 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -51.82 -54.19 31.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.162 1.785 . . . . 0.0 111.337 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -37.34 74.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.211 1.404 . . . . 0.0 111.392 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.82 96.9 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.056 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -82.71 -47.27 12.18 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.204 1.502 . . . . 0.0 107.271 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.42 -51.67 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.579 0.752 . . . . 0.0 111.365 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -59.76 -46.16 90.03 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 122.035 0.922 . . . . 0.0 111.092 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -57.48 -30.91 65.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.181 1.393 . . . . 0.0 114.018 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.53 82.43 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.065 1.346 . . . . 0.0 111.513 172.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.91 -44.14 66.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.026 0.93 . . . . 0.0 110.991 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -64.84 -44.1 90.9 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -136.79 64.09 48.63 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 114.494 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.0 -14.02 40.94 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.242 1.961 . . . . 0.0 113.364 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.9 p -54.13 -26.39 27.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.512 1.125 . . . . 0.0 113.309 169.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.3 23.61 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.413 1.485 . . . . 0.0 112.309 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -42.25 -44.9 3.98 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.999 1.319 . . . . 0.0 113.758 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.79 -36.24 80.51 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.043 2.537 . . . . 0.0 112.241 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -88.51 -33.79 17.65 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.838 1.255 . . . . 0.0 111.381 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.58 -37.96 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.382 1.073 . . . . 0.0 110.581 175.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.64 -46.68 86.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.3 0.64 . . . . 0.0 110.884 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.26 72.35 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.71 -55.09 16.67 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.703 1.601 . . . . 0.0 113.48 169.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.24 75.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.669 0.388 . . . . 0.0 111.968 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -68.72 -50.67 48.89 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.098 0.959 . . . . 0.0 111.517 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -46.1 77.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.059 1.344 . . . . 0.0 112.251 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.98 -26.79 63.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.078 -1.014 . . . . 0.0 113.538 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.41 -38.71 71.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.547 1.067 . . . . 0.0 111.085 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.64 -35.09 74.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.19 66.72 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 112.337 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -99.53 -13.61 19.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.719 1.208 . . . . 0.0 112.642 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.74 152.82 34.51 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.134 1.374 . . . . 0.0 112.543 169.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.2 133.36 24.58 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.719 2.946 . . . . 0.0 111.422 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? . . . . . 0 C--O 1.254 1.293 0 CA-C-O 117.105 -1.426 . . . . 0.0 113.232 -173.085 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 120.589 0.233 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -96.68 81.62 3.21 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -81.46 -26.43 35.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -168.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 tttp 54.05 60.8 3.39 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.525 1.93 . . . . 0.0 113.481 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -147.26 169.22 19.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -82.19 172.07 13.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.334 1.054 . . . . 0.0 111.098 162.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.16 -50.54 72.52 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.936 1.295 . . . . 0.0 114.336 -167.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -77.12 -34.18 56.73 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.658 0.783 . . . . 0.0 112.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.99 -51.22 71.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.688 0.395 . . . . 0.0 111.159 172.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.86 -31.96 73.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.085 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -59.07 -63.17 1.4 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.681 1.192 . . . . 0.0 111.309 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.29 71.24 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.03 -55.5 14.14 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.475 1.11 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -51.78 -45.97 63.98 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 167.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.5 -37.74 88.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.252 1.421 . . . . 0.0 113.318 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.6 mt -69.52 -44.11 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.482 1.113 . . . . 0.0 111.048 172.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.8 -18.1 64.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.137 1.375 . . . . 0.0 114.123 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -79.63 -21.82 44.37 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.558 1.543 . . . . 0.0 113.562 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.89 112.79 22.01 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 119.655 1.116 . . . . 0.0 111.221 -170.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.76 -30.79 5.8 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.964 2.442 . . . . 0.0 114.108 -165.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -84.25 -11.12 57.0 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.043 -1.036 . . . . 0.0 112.661 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.12 135.37 50.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.41 1.484 . . . . 0.0 111.46 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.254 3.8 p -73.44 151.94 40.94 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -67.63 -20.78 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.317 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.25 -47.89 25.96 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.743 1.617 . . . . 0.0 113.492 167.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.2 -42.1 90.13 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.701 1.2 . . . . 0.0 111.843 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -49.75 -52.47 31.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.702 1.601 . . . . 0.0 111.602 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -57.52 -33.0 67.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.331 1.852 . . . . 0.0 112.368 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.16 -45.22 88.24 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 125.391 1.472 . . . . 0.0 113.123 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.77 -47.2 9.97 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.13 -47.74 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.126 0.875 . . . . 0.0 111.839 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -46.21 88.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -65.05 -26.03 68.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -41.14 97.53 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.978 1.311 . . . . 0.0 112.06 169.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.24 -41.25 94.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.77 0.828 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -64.35 -53.27 51.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -131.45 65.46 76.22 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 115.603 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -60.9 -15.92 41.55 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.195 2.597 . . . . 0.0 115.255 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 m -62.48 -21.69 65.67 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.5 1.12 . . . . 0.0 113.657 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -109.16 23.66 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 113.078 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -41.3 -41.82 2.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.146 1.378 . . . . 0.0 114.567 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.13 -37.19 84.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.335 2.654 . . . . 0.0 112.506 -179.352 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -80.23 -38.67 30.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.841 0.856 . . . . 0.0 111.978 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.19 -39.97 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 110.517 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.74 -43.77 98.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.716 171.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.99 81.02 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.35 -47.48 73.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 113.22 172.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.45 85.97 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.084 0.402 . . . . 0.0 111.06 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.81 -45.38 78.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.236 1.014 . . . . 0.0 111.686 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -60.56 -46.89 88.53 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.902 1.681 . . . . 0.0 112.905 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.78 -22.65 60.8 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.544 -0.723 . . . . 0.0 112.835 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.51 -36.81 76.8 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.68 -0.637 . . . . 0.0 111.263 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.55 -29.59 68.18 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.45 65.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 113.535 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -116.44 -9.48 11.45 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 112.345 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.04 49.5 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.875 2.07 . . . . 0.0 113.504 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.84 162.62 12.79 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 124.935 3.756 . . . . 0.0 114.943 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.7 mttm . . . . . 0 C--O 1.251 1.169 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.472 0.674 0 CA-C-O 121.042 0.449 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.61 85.2 3.95 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.172 1.389 . . . . 0.0 113.227 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -79.38 -7.75 58.6 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -157.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -140.55 145.94 37.43 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.055 1.342 . . . . 0.0 112.528 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.17 163.28 25.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -88.57 163.14 16.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.198 1.399 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -38.65 81.88 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -167.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.88 -31.82 27.69 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.45 -0.781 . . . . 0.0 112.762 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.13 -55.21 37.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.765 -0.584 . . . . 0.0 111.719 170.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.47 -28.5 69.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.737 0.415 . . . . 0.0 111.959 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.56 -67.85 0.32 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.056 1.342 . . . . 0.0 112.085 164.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.46 64.14 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.17 -58.93 3.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.613 1.565 . . . . 0.0 112.538 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.02 -43.94 63.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -59.2 -41.85 89.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.892 0.877 . . . . 0.0 112.827 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.6 -28.31 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.623 1.169 . . . . 0.0 111.911 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.72 -20.33 61.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.131 . . . . 0.0 113.473 167.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -85.29 -15.2 44.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.878 1.271 . . . . 0.0 113.203 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.77 121.28 80.68 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 120.637 1.562 . . . . 0.0 111.644 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.56 -31.28 2.07 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.405 2.736 . . . . 0.0 114.67 -167.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -88.7 -28.18 20.73 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.022 0.828 . . . . 0.0 112.712 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.01 139.03 53.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.205 1.802 . . . . 0.0 112.211 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 p -80.45 153.72 28.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.11 -28.22 67.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.002 1.321 . . . . 0.0 111.976 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.88 -50.14 25.64 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.751 1.62 . . . . 0.0 112.747 171.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.6 -41.94 91.48 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.026 0.93 . . . . 0.0 112.049 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -49.63 -46.08 49.05 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.272 1.429 . . . . 0.0 111.708 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -54.64 -40.84 69.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 112.985 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.75 -21.81 71.4 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.098 -0.834 . . . . 0.0 114.685 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -96.87 -47.17 5.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 173.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.43 -47.81 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.246 1.018 . . . . 0.0 112.244 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -52.75 -51.98 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.249 0.547 . . . . 0.0 111.794 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -28.87 69.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.33 -26.87 66.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.772 1.169 . . . . 0.0 113.355 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -72.34 -42.91 64.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.288 0.635 . . . . 0.0 110.483 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -73.97 -49.27 25.26 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.339 2.256 . . . . 0.0 116.191 -176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -125.51 63.34 44.31 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 128.466 2.706 . . . . 0.0 114.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -57.91 -20.1 42.84 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.336 2.69 . . . . 0.0 114.186 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -69.04 -18.47 64.03 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.933 -1.104 . . . . 0.0 113.591 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.26 10.7 m -101.09 26.53 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.594 1.158 . . . . 0.0 112.719 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -37.32 -42.98 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.18 1.792 . . . . 0.0 114.33 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.85 87.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.087 1.755 . . . . 0.0 111.76 -177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.45 -36.56 38.66 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.449 1.5 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.93 -42.36 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.484 1.114 . . . . 0.0 110.237 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.08 -49.84 74.36 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.056 0.942 . . . . 0.0 111.351 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.81 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.852 0.861 . . . . 0.0 113.063 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.52 -46.97 58.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.32 84.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.199 0.454 . . . . 0.0 111.287 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -46.37 72.92 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.852 1.261 . . . . 0.0 111.954 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.97 -47.02 87.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 112.511 174.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.43 -27.06 62.09 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -70.58 -35.14 72.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.114 0.87 . . . . 0.0 111.384 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.47 -34.67 78.46 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.11 77.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.342 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -91.87 0.71 57.47 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.045 0.938 . . . . 0.0 113.012 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 156.71 64.93 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.4 1.88 . . . . 0.0 111.422 163.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.6 172.27 14.68 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.77 2.98 . . . . 0.0 112.126 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 C--O 1.251 1.152 0 C-N-CA 123.652 0.781 . . . . 0.0 111.574 161.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.93 147.17 24.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.52 -49.06 62.4 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 112.744 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -62.02 130.59 46.25 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.464 1.029 . . . . 0.0 110.69 172.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 19.1 m-85 -58.61 154.31 14.59 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -170.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -72.39 160.32 32.54 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.433 1.093 . . . . 0.0 110.881 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.25 -32.53 74.25 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -76.37 -44.17 37.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.804 1.183 . . . . 0.0 111.857 167.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -52.25 -53.84 38.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.47 0.708 . . . . 0.0 112.491 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.95 -38.85 87.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.354 0.525 . . . . 0.0 112.156 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.63 -47.26 73.16 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.089 1.356 . . . . 0.0 112.576 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.43 -28.89 68.96 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.016 0.913 . . . . 0.0 112.363 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -72.23 -53.55 12.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 112.04 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -48.2 -45.9 34.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 166.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.76 -36.73 67.64 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.795 1.238 . . . . 0.0 112.848 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -79.1 -40.58 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 110.854 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.22 -24.5 67.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.481 1.112 . . . . 0.0 113.961 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -97.09 2.94 51.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.59 124.39 87.82 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.592 1.087 . . . . 0.0 111.236 174.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.53 -33.95 0.84 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.064 2.51 . . . . 0.0 115.35 -168.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -87.49 -21.33 25.55 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.237 0.926 . . . . 0.0 112.438 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 134.41 56.97 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.584 1.554 . . . . 0.0 111.884 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -78.82 159.31 27.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -54.86 -37.57 66.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.135 0.574 . . . . 0.0 111.09 172.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.37 -43.89 38.8 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.821 1.248 . . . . 0.0 112.581 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.23 -45.01 92.3 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.134 0.974 . . . . 0.0 112.043 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -50.59 -46.91 58.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.186 1.395 . . . . 0.0 111.38 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -49.02 -44.89 41.82 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.362 1.865 . . . . 0.0 113.518 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.08 -26.75 74.44 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-N 119.338 0.972 . . . . 0.0 113.823 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.71 -49.12 7.34 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -53.39 -53.67 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.338 1.055 . . . . 0.0 111.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -45.13 94.56 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.045 -0.409 . . . . 0.0 110.794 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -60.45 -32.0 70.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 tp -64.68 -34.78 79.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.343 1.057 . . . . 0.0 112.604 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.04 -38.72 82.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.504 0.722 . . . . 0.0 111.456 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.25 -46.37 56.26 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -132.22 71.32 79.76 Favored Pre-proline 0 CA--C 1.549 0.94 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -65.06 -14.32 44.58 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.4 2.067 . . . . 0.0 113.401 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -64.25 -22.96 67.13 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.306 1.442 . . . . 0.0 112.984 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -106.57 27.37 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.646 1.578 . . . . 0.0 112.679 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.2 p -42.12 -41.0 2.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.803 1.241 . . . . 0.0 113.664 175.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -43.13 82.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.785 2.034 . . . . 0.0 111.552 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.67 -36.7 51.01 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.407 1.083 . . . . 0.0 112.704 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -70.23 -39.09 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.536 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.56 -48.58 81.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.161 0.985 . . . . 0.0 110.256 168.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.81 80.85 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.527 0.603 . . . . 0.0 112.517 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.6 -49.87 55.97 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.08 -39.04 77.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.433 0.635 . . . . 0.0 110.748 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -73.59 -41.93 62.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.027 1.331 . . . . 0.0 112.981 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.71 -47.88 83.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.895 1.678 . . . . 0.0 111.749 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.14 -34.29 70.87 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.644 0.778 . . . . 0.0 112.617 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -64.71 -32.07 73.58 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.064 -1.022 . . . . 0.0 111.079 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.69 -29.06 61.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.3 59.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.014 0.925 . . . . 0.0 112.947 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -98.86 -3.82 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.69 1.196 . . . . 0.0 112.652 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 155.94 87.66 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.754 2.021 . . . . 0.0 111.177 164.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.7 161.11 43.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 124.183 3.256 . . . . 0.0 112.019 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.808 1.643 . . . . 0.0 113.849 -176.033 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 110.748 -0.093 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -73.85 132.47 42.57 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.89 0.876 . . . . 0.0 110.581 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -83.91 -17.23 41.43 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -71.8 151.03 43.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.755 1.222 . . . . 0.0 111.761 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -68.71 169.94 10.32 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -105.74 162.47 13.51 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.476 1.51 . . . . 0.0 110.261 161.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.73 -46.72 77.86 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -164.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -69.66 -34.65 74.29 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.489 -0.757 . . . . 0.0 112.339 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -56.31 -54.83 40.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.947 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.68 -35.57 78.37 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.048 1.294 . . . . 0.0 112.489 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.02 -61.27 2.67 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.044 1.738 . . . . 0.0 112.802 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.86 71.91 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -69.08 -53.83 18.27 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.025 1.33 . . . . 0.0 111.688 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.38 -42.55 70.49 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 116.069 1.878 . . . . 0.0 116.069 168.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -67.4 -34.14 76.65 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mt -68.13 -40.66 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.942 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.4 -21.97 66.81 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.379 1.072 . . . . 0.0 113.23 172.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -84.68 -3.09 58.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.813 2.045 . . . . 0.0 114.498 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.45 109.1 33.85 Favored Pre-proline 0 CA--C 1.549 0.934 0 O-C-N 120.845 -1.159 . . . . 0.0 111.76 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.95 -29.57 14.92 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.453 2.769 . . . . 0.0 114.343 -168.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.05 -6.26 54.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.077 0.951 . . . . 0.0 112.312 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.81 136.15 46.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.575 1.55 . . . . 0.0 110.301 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -74.63 152.14 39.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.432 0.56 . . . . 0.0 112.238 166.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -27.63 69.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.408 -0.182 . . . . 0.0 111.436 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.78 -44.59 61.36 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -57.07 -44.2 82.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.986 0.914 . . . . 0.0 111.136 170.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -50.73 -50.51 55.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.577 1.951 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -50.11 -43.56 51.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.859 1.664 . . . . 0.0 112.576 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -19.53 71.93 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.607 -1.107 . . . . 0.0 114.717 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -94.51 -49.5 5.63 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.179 1.489 . . . . 0.0 107.712 172.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.56 -47.74 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.452 0.701 . . . . 0.0 110.919 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.16 -47.46 83.31 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 m -58.95 -34.72 72.08 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -25.49 66.76 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.049 0.939 . . . . 0.0 113.53 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -72.03 -40.55 68.33 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.74 0.816 . . . . 0.0 111.227 170.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.4 -52.28 11.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.769 1.628 . . . . 0.0 114.631 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -126.11 61.07 38.96 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.344 2.258 . . . . 0.0 114.433 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -61.3 -12.1 22.19 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.116 3.21 . . . . 0.0 115.289 -172.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -68.26 -32.67 73.01 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.618 1.553 . . . . 0.0 112.042 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.27 23.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 120.786 -1.196 . . . . 0.0 112.958 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.6 p -40.76 -39.03 1.01 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.202 1.801 . . . . 0.0 114.025 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.48 85.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.227 1.811 . . . . 0.0 110.632 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.85 -40.82 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.726 1.21 . . . . 0.0 111.77 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.7 mm -63.09 -37.07 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.859 -0.525 . . . . 0.0 110.52 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.04 -45.44 77.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.147 0.979 . . . . 0.0 112.583 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.2 80.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.897 0.771 . . . . 0.0 111.218 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.92 -45.77 48.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.36 72.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.038 0.381 . . . . 0.0 110.852 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -69.51 -50.53 44.27 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.032 0.933 . . . . 0.0 111.709 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.0 ttpt -53.29 -48.11 68.63 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 112.368 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 16.7 mt -70.3 -36.26 74.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.18 0.592 . . . . 0.0 112.417 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.24 -38.44 83.44 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.279 0.945 . . . . 0.0 111.131 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.15 -26.71 42.74 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.8 70.93 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.375 0.67 . . . . 0.0 111.924 167.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.19 -4.81 55.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.981 0.912 . . . . 0.0 113.344 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.84 156.06 3.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.866 2.067 . . . . 0.0 113.904 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.69 168.33 21.76 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.633 2.889 . . . . 0.0 113.306 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.864 2.066 . . . . 0.0 112.561 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.275 16.1 m-20 -67.5 143.76 56.02 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -172.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -70.51 -51.96 25.19 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.424 1.09 . . . . 0.0 112.396 -172.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -89.94 145.94 24.75 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.029 1.332 . . . . 0.0 111.5 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -76.43 145.76 39.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 157.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -68.84 159.53 32.31 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -45.57 68.5 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.875 0.761 . . . . 0.0 111.002 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -69.1 -40.15 78.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.782 1.633 . . . . 0.0 114.278 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.29 -54.68 37.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.566 0.747 . . . . 0.0 111.629 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.02 -29.65 70.05 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.024 -172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.74 -57.22 13.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.97 1.708 . . . . 0.0 111.968 167.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.22 69.44 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -75.97 -53.54 8.23 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.012 1.325 . . . . 0.0 111.143 -174.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.04 -41.93 60.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 166.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -68.96 -42.87 76.04 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.76 -31.62 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.234 1.014 . . . . 0.0 111.534 174.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.34 -34.23 74.94 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.966 0.906 . . . . 0.0 112.512 166.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.58 -15.05 59.0 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.81 118.33 71.02 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 120.356 1.434 . . . . 0.0 112.111 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.98 -31.29 1.05 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.154 2.569 . . . . 0.0 115.048 -168.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -85.08 -3.06 58.66 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.332 0.969 . . . . 0.0 112.482 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 142.05 40.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.284 1.834 . . . . 0.0 110.615 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 p -77.76 154.34 32.07 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.569 1.077 . . . . 0.0 112.115 166.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.03 -29.65 70.78 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 122.151 -0.343 . . . . 0.0 111.3 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.27 -42.95 65.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.051 1.74 . . . . 0.0 112.798 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -57.65 -44.2 85.46 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -54.28 -54.32 41.83 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.665 1.186 . . . . 0.0 111.449 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -53.4 -41.46 65.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.203 1.001 . . . . 0.0 110.688 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -43.97 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.317 -1.269 . . . . 0.0 114.374 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -84.26 -45.86 12.43 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.83 1.815 . . . . 0.0 107.73 178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.2 mt -54.66 -47.93 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.065 0.546 . . . . 0.0 110.997 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.53 -55.48 28.7 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.308 0.575 . . . . 0.0 112.199 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.4 m -58.53 -28.75 65.75 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -44.49 95.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.074 1.75 . . . . 0.0 111.546 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.45 -40.27 86.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.661 0.785 . . . . 0.0 111.401 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.59 -38.11 55.38 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -132.12 59.94 47.71 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.0 -10.05 27.19 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.811 2.341 . . . . 0.0 115.281 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -77.01 -2.09 32.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.878 1.271 . . . . 0.0 113.475 171.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.0 27.37 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.417 1.087 . . . . 0.0 111.802 167.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -53.38 -34.11 56.36 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.021 -1.049 . . . . 0.0 113.372 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -41.85 93.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.591 0.756 . . . . 0.0 112.317 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -79.49 -34.49 41.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.216 1.406 . . . . 0.0 110.41 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.4 -39.06 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.521 1.528 . . . . 0.0 110.929 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.83 -49.88 74.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.449 0.699 . . . . 0.0 109.743 165.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.29 75.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.389 0.676 . . . . 0.0 112.818 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.94 -50.78 70.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.321 0.964 . . . . 0.0 113.516 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.54 75.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.806 0.443 . . . . 0.0 111.635 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -73.06 -46.03 53.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.392 1.477 . . . . 0.0 112.524 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 12.5 ttpt -58.1 -48.08 81.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.431 1.892 . . . . 0.0 111.93 172.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 11.5 mt -70.11 -35.95 74.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.418 0.687 . . . . 0.0 112.23 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -61.01 -36.86 80.62 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.05 0.841 . . . . 0.0 110.931 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.35 -32.03 66.14 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.39 -21.8 55.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.754 1.222 . . . . 0.0 113.669 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -100.07 -8.89 23.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.99 0.916 . . . . 0.0 112.373 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.03 70.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.837 1.655 . . . . 0.0 113.659 171.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -63.85 136.67 54.28 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 124.046 3.164 . . . . 0.0 111.031 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? . . . . . 0 C--O 1.256 1.439 0 C-N-CA 125.55 1.54 . . . . 0.0 113.925 -176.183 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.94 140.09 55.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.13 -31.32 72.1 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.304 -0.872 . . . . 0.0 112.735 173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -161.82 149.59 14.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.63 1.972 . . . . 0.0 110.372 -173.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -54.01 155.19 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 172.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -89.02 159.03 17.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.059 0.944 . . . . 0.0 111.285 170.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -49.93 -48.42 51.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.556 1.542 . . . . 0.0 114.21 -172.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -80.48 -29.94 37.41 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.234 1.013 . . . . 0.0 112.747 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.22 -51.86 64.57 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.923 1.289 . . . . 0.0 112.221 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.69 -28.94 70.29 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.66 -59.23 5.21 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.384 1.074 . . . . 0.0 112.351 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.04 68.4 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.71 -56.35 6.6 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -49.11 -49.34 42.41 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 165.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -61.58 -41.34 97.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.6 mt -71.54 -39.17 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 111.762 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.57 -31.08 71.12 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.281 -0.887 . . . . 0.0 112.682 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.97 -7.49 56.88 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.06 118.89 75.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 120.609 -1.307 . . . . 0.0 110.912 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.71 -30.95 2.72 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.232 2.621 . . . . 0.0 115.353 -166.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -89.2 -18.22 27.53 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.802 1.183 . . . . 0.0 113.354 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.62 132.82 53.63 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.95 1.7 . . . . 0.0 111.16 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -74.65 151.13 39.34 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.994 -0.441 . . . . 0.0 110.704 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.0 -27.01 67.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.878 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -60.54 -52.56 64.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.555 1.942 . . . . 0.0 111.783 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.05 -46.63 85.08 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.149 1.38 . . . . 0.0 111.732 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -54.27 -53.1 58.32 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 110.554 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -36.85 38.67 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.435 1.894 . . . . 0.0 113.478 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.28 -43.04 99.65 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 121.189 -0.944 . . . . 0.0 113.069 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -80.56 -49.49 11.26 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -57.8 -48.18 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.793 0.837 . . . . 0.0 111.894 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -44.73 94.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.389 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -64.05 -25.72 68.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -30.87 71.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 119.672 1.124 . . . . 0.0 112.406 169.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -76.58 -27.28 55.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.826 1.251 . . . . 0.0 112.002 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -79.9 -51.56 8.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.477 1.511 . . . . 0.0 112.249 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -132.12 66.54 77.66 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 126.566 1.947 . . . . 0.0 114.756 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.36 -9.73 24.98 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.85 2.367 . . . . 0.0 115.906 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -77.53 -18.13 57.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.549 1.522 . . . . 0.0 113.617 169.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.291 6.2 m -93.65 20.78 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 120.974 -1.079 . . . . 0.0 112.68 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -45.01 -43.43 9.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.243 1.417 . . . . 0.0 112.388 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -47.14 86.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.365 2.266 . . . . 0.0 110.541 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.52 -29.96 52.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.893 1.277 . . . . 0.0 111.808 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -75.94 -40.42 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.885 1.674 . . . . 0.0 110.58 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.21 -45.94 89.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.089 0.956 . . . . 0.0 110.845 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.9 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.368 0.667 . . . . 0.0 112.778 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.43 -53.37 57.46 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.49 1.516 . . . . 0.0 112.139 174.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.73 79.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.385 0.674 . . . . 0.0 111.818 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -70.71 -45.46 64.89 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.948 0.899 . . . . 0.0 112.059 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -60.79 -44.14 97.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.391 1.477 . . . . 0.0 112.11 171.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.51 -25.6 62.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.01 -37.83 78.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.023 0.829 . . . . 0.0 111.61 166.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.31 -37.99 84.25 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -20.48 65.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.94 0.896 . . . . 0.0 112.317 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -107.87 3.63 24.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.545 1.138 . . . . 0.0 112.682 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 152.03 78.38 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.74 1.616 . . . . 0.0 112.362 170.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.23 150.78 71.83 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 124.463 3.442 . . . . 0.0 114.124 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 C--O 1.251 1.137 0 C-N-CA 128.829 2.852 . . . . 0.0 110.163 173.233 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.818 -0.067 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.59 123.41 22.43 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -127.03 5.96 6.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.27 1.428 . . . . 0.0 113.722 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -141.86 138.25 32.0 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.343 1.457 . . . . 0.0 111.081 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -75.46 158.85 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -79.57 167.37 20.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.962 0.905 . . . . 0.0 110.492 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -60.57 -42.78 97.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.08 -31.16 25.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.952 0.796 . . . . 0.0 111.303 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -55.35 -55.14 34.95 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.517 0.599 . . . . 0.0 112.09 171.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -61.71 -30.99 71.11 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -61.72 -64.08 1.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.767 2.027 . . . . 0.0 112.309 167.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.87 69.73 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.79 -55.31 15.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.746 1.618 . . . . 0.0 110.806 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.64 -43.41 62.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.636 2.088 . . . . 0.0 116.636 168.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -66.59 -40.15 88.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.914 1.286 . . . . 0.0 113.804 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.86 -40.19 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.534 1.133 . . . . 0.0 110.833 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -20.62 63.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.621 1.168 . . . . 0.0 113.627 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.05 -17.35 52.97 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.11 118.21 71.33 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.302 0.955 . . . . 0.0 111.743 -171.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.84 -38.45 0.36 Allowed 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.07 2.513 . . . . 0.0 114.836 -167.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -79.59 -10.9 59.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.156 0.982 . . . . 0.0 113.011 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.86 137.76 57.96 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.292 1.037 . . . . 0.0 110.296 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.3 2.9 p -73.67 151.24 40.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.27 -14.91 29.86 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.046 1.338 . . . . 0.0 113.026 173.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.03 -55.25 3.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.893 1.677 . . . . 0.0 112.653 165.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -50.83 -42.28 58.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.084 1.353 . . . . 0.0 113.028 -172.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -49.71 -53.17 26.3 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.507 1.523 . . . . 0.0 111.615 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.75 -29.39 69.36 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.72 2.008 . . . . 0.0 111.392 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.94 -43.5 95.88 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 119.534 1.061 . . . . 0.0 114.025 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.74 -44.39 33.35 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.03 -45.08 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.164 0.586 . . . . 0.0 111.755 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -51.5 -52.28 48.08 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.902 -0.499 . . . . 0.0 111.941 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -59.57 -30.23 68.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.503 1.521 . . . . 0.0 114.14 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.0 -25.8 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.829 2.052 . . . . 0.0 113.533 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -70.01 -34.27 73.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.06 0.544 . . . . 0.0 111.393 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -76.35 -52.22 10.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.019 2.528 . . . . 0.0 116.506 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -130.15 68.66 81.32 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -60.69 -18.41 55.25 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.306 2.67 . . . . 0.0 115.355 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -53.33 -35.35 60.1 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.025 -1.047 . . . . 0.0 113.042 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -97.72 23.55 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.469 1.107 . . . . 0.0 112.025 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.5 m -44.97 -37.97 4.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.679 1.192 . . . . 0.0 113.704 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.35 95.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.351 1.461 . . . . 0.0 111.843 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.75 -32.31 23.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.928 1.291 . . . . 0.0 110.615 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -66.64 -39.71 84.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.52 -0.738 . . . . 0.0 110.537 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.63 -41.93 98.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.922 0.889 . . . . 0.0 111.625 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.64 99.12 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.189 0.596 . . . . 0.0 111.484 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.98 -40.17 75.51 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.1 95.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.499 0.59 . . . . 0.0 111.045 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -65.0 -49.25 70.95 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.83 0.852 . . . . 0.0 112.5 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -32.57 70.73 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.28 -28.86 61.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.811 1.187 . . . . 0.0 113.127 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.54 -39.51 85.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.476 1.035 . . . . 0.0 111.209 168.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -31.15 71.09 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 114.301 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.52 64.95 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.354 -0.841 . . . . 0.0 112.973 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -101.33 -11.09 19.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.211 1.004 . . . . 0.0 112.899 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 168.22 6.13 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 126.823 2.049 . . . . 0.0 112.098 163.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.88 169.5 8.74 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 124.393 3.395 . . . . 0.0 113.653 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 C--O 1.255 1.384 0 C-N-CA 124.597 1.159 . . . . 0.0 113.469 170.502 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -58.82 130.39 46.73 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.97 -28.86 65.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.4 -0.812 . . . . 0.0 111.227 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -72.78 132.67 43.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.546 1.938 . . . . 0.0 113.616 -166.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.28 149.26 21.54 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 160.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -87.07 161.68 18.01 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.208 1.003 . . . . 0.0 110.086 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -56.46 -35.02 67.44 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -167.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -74.53 -40.14 61.92 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.362 1.065 . . . . 0.0 112.915 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.89 -46.13 89.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.593 0.757 . . . . 0.0 112.148 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -60.07 -31.01 69.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.18 -51.86 33.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 112.455 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.64 73.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.747 . . . . 0.0 112.363 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.86 -52.91 37.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.653 1.581 . . . . 0.0 111.569 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.6 -45.77 38.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.78 -39.84 91.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.741 1.616 . . . . 0.0 113.997 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.56 -39.49 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.115 1.366 . . . . 0.0 111.71 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.34 -27.27 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.062 0.945 . . . . 0.0 113.412 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -79.47 -11.23 59.91 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.87 126.5 86.96 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 119.644 1.111 . . . . 0.0 112.721 -170.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.23 -32.59 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.049 2.5 . . . . 0.0 115.231 -169.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -88.93 -18.12 28.15 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.99 1.268 . . . . 0.0 112.555 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.08 133.84 52.5 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.225 1.41 . . . . 0.0 111.875 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.257 3.8 p -74.55 151.05 39.5 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.05 -21.95 66.73 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.4 175.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.29 -46.26 34.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.861 2.064 . . . . 0.0 113.848 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.16 -41.9 98.75 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.554 1.142 . . . . 0.0 111.773 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -49.81 -48.6 50.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.015 1.726 . . . . 0.0 111.865 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -53.01 -39.62 63.27 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 127.542 2.337 . . . . 0.0 112.476 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.33 -34.12 74.18 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 120.386 1.448 . . . . 0.0 114.378 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.79 -48.28 13.84 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.92 -50.41 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.82 0.448 . . . . 0.0 110.534 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -53.32 -53.64 48.05 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.334 0.587 . . . . 0.0 111.527 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -57.85 -29.81 65.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.585 1.154 . . . . 0.0 113.901 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -31.54 72.47 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.796 2.039 . . . . 0.0 112.729 172.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -72.53 -30.49 64.51 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.136 0.975 . . . . 0.0 111.309 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.07 -56.38 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -125.15 67.87 55.75 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -172.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -65.39 -12.61 35.7 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.353 2.035 . . . . 0.0 114.562 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -10.46 54.24 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.798 -1.189 . . . . 0.0 112.783 171.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -114.57 23.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.515 1.526 . . . . 0.0 113.425 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -38.92 -46.39 1.31 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.761 1.624 . . . . 0.0 114.179 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -40.12 79.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.5 1.92 . . . . 0.0 111.942 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.19 -29.11 21.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.883 1.273 . . . . 0.0 113.047 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -71.33 -38.88 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.03 0.932 . . . . 0.0 110.249 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.02 -44.55 94.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.014 0.526 . . . . 0.0 111.144 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.15 80.89 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.669 0.668 . . . . 0.0 112.775 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.41 -49.67 70.63 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.184 -0.947 . . . . 0.0 113.382 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.49 73.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -74.24 -43.75 55.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.785 1.234 . . . . 0.0 112.865 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -57.52 -47.94 80.63 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.588 1.955 . . . . 0.0 112.412 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.89 -31.77 64.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.451 0.7 . . . . 0.0 112.546 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.1 -36.23 82.91 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.507 -0.746 . . . . 0.0 110.552 166.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.4 -31.08 65.24 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.81 -22.27 61.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.624 1.17 . . . . 0.0 113.247 173.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.62 4.33 32.64 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.426 1.09 . . . . 0.0 112.704 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.79 155.88 38.46 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.907 1.683 . . . . 0.0 112.956 169.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.79 171.8 16.61 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.911 3.074 . . . . 0.0 112.722 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.647 168.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 120.289 0.09 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.76 -52.68 61.82 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.929 0.892 . . . . 0.0 112.121 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -61.46 -36.5 80.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.901 0.773 . . . . 0.0 112.529 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.27 -55.32 36.41 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.769 1.228 . . . . 0.0 111.475 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.3 75.21 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.28 -50.87 17.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.773 1.229 . . . . 0.0 109.037 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.83 -48.31 59.92 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 165.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.58 -41.55 99.01 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.753 0.821 . . . . 0.0 113.154 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.72 -35.99 57.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.93 0.892 . . . . 0.0 111.285 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.25 -32.52 73.95 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.392 1.077 . . . . 0.0 112.844 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -72.85 -17.99 61.49 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.643 1.177 . . . . 0.0 113.831 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.46 119.71 78.34 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.024 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.56 -35.37 0.58 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.408 2.739 . . . . 0.0 115.373 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -81.72 0.43 38.95 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.997 1.271 . . . . 0.0 113.125 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.56 142.61 35.55 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.644 1.577 . . . . 0.0 110.565 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -86.58 159.48 19.23 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.68 -2.37 1.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.54 1.936 . . . . 0.0 113.198 170.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.29 -49.52 3.34 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.572 1.949 . . . . 0.0 113.484 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -57.51 -44.25 84.88 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.164 1.386 . . . . 0.0 111.442 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.71 -53.47 38.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.026 1.33 . . . . 0.0 111.146 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -56.24 -38.24 70.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.43 1.492 . . . . 0.0 111.39 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.02 -30.79 74.41 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 119.627 1.103 . . . . 0.0 114.748 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.99 -48.83 7.47 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.12 -49.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.043 0.838 . . . . 0.0 112.28 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -55.16 -49.15 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.878 0.847 . . . . 0.0 111.502 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -60.33 -28.28 68.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.597 1.959 . . . . 0.0 113.874 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -42.71 78.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.787 2.035 . . . . 0.0 111.524 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.91 -37.92 83.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.667 0.787 . . . . 0.0 111.12 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -66.9 -47.33 72.13 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -137.57 70.86 52.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 125.738 1.615 . . . . 0.0 115.295 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.69 -20.15 68.49 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.543 2.162 . . . . 0.0 115.228 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -58.41 -26.94 63.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.731 1.212 . . . . 0.0 113.058 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m -102.02 20.67 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.155 1.382 . . . . 0.0 112.826 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.1 m -48.15 -39.13 19.78 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.54 -40.35 74.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.506 1.922 . . . . 0.0 112.232 176.158 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.3 -29.05 20.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.233 1.413 . . . . 0.0 111.615 -173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -69.13 -38.47 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 0.0 110.26 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.83 -44.62 90.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.133 0.973 . . . . 0.0 111.555 170.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.01 69.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.59 -48.06 57.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 114.054 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.074 0.397 . . . . 0.0 111.292 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -63.58 -48.68 76.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.206 1.002 . . . . 0.0 111.337 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.44 -43.81 98.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.43 1.892 . . . . 0.0 112.585 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.74 -31.95 65.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.302 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.15 -37.43 87.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.288 0.949 . . . . 0.0 111.249 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.77 -26.56 64.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 114.92 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.31 63.79 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.141 -0.974 . . . . 0.0 112.478 171.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -98.31 -4.55 34.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 127.056 2.143 . . . . 0.0 113.304 164.815 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 119.086 -0.483 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.98 -54.69 41.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.243 1.017 . . . . 0.0 111.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.41 -34.92 78.8 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.028 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -56.76 17.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.066 1.346 . . . . 0.0 112.738 171.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.52 69.64 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -69.73 -55.85 8.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.978 1.311 . . . . 0.0 111.585 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -52.41 -47.04 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 168.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.12 -44.49 87.77 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.609 -0.682 . . . . 0.0 112.155 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.62 -35.55 73.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.963 1.305 . . . . 0.0 111.821 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.49 -28.72 70.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.947 0.899 . . . . 0.0 112.981 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -92.51 -7.53 47.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.13 123.59 89.68 Favored Pre-proline 0 CA--C 1.553 1.083 0 CA-C-N 120.003 1.274 . . . . 0.0 112.411 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -85.82 -34.52 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.651 3.568 . . . . 0.0 116.1 -167.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -84.77 -13.07 52.32 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 111.84 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.08 139.61 57.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.251 1.82 . . . . 0.0 110.932 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -76.62 153.56 35.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 166.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.2 -29.94 70.12 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -71.41 -48.37 50.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.268 1.027 . . . . 0.0 112.447 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -53.44 -42.18 66.84 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.609 1.164 . . . . 0.0 111.437 169.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -54.74 -50.63 67.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.294 1.438 . . . . 0.0 111.888 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -54.77 -41.82 70.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 110.344 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.35 11.3 1.59 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 126.659 2.076 . . . . 0.0 116.176 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -129.82 -42.07 1.29 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 1.414 . . . . 0.0 107.745 161.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -54.49 -47.48 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.383 0.992 . . . . 0.0 111.187 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.97 79.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -57.73 -34.79 69.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.264 1.425 . . . . 0.0 113.139 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.11 -40.38 78.39 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.362 1.865 . . . . 0.0 111.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -64.16 -42.54 96.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.455 0.702 . . . . 0.0 111.178 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -62.48 -37.77 87.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -143.0 68.61 18.06 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.877 1.271 . . . . 0.0 114.333 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.06 -15.01 46.83 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.181 2.587 . . . . 0.0 112.926 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -75.04 -4.91 41.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.042 1.337 . . . . 0.0 114.041 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.53 28.74 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.302 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -49.49 -35.32 19.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.319 1.048 . . . . 0.0 113.26 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -38.51 79.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.928 1.291 . . . . 0.0 111.872 176.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -88.16 -30.79 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.433 1.493 . . . . 0.0 112.445 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -70.0 -37.86 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 123.495 0.718 . . . . 0.0 110.648 169.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.23 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.308 0.643 . . . . 0.0 110.58 166.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.83 70.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.669 0.668 . . . . 0.0 112.707 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.96 -56.45 15.09 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.717 1.207 . . . . 0.0 113.143 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.77 78.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.831 0.453 . . . . 0.0 111.057 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -69.04 -46.33 68.18 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.395 1.078 . . . . 0.0 111.751 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.88 -45.86 92.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.739 1.616 . . . . 0.0 112.146 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.3 -34.37 74.59 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.983 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -65.75 -35.68 81.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.086 0.857 . . . . 0.0 111.519 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -71.5 -32.95 68.79 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.111 0.965 . . . . 0.0 112.247 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.38 -11.98 59.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.123 1.369 . . . . 0.0 114.313 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -110.52 2.89 19.07 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.897 1.279 . . . . 0.0 113.179 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 126.704 2.002 . . . . 0.0 112.982 165.262 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.07 -50.25 74.03 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.499 1.52 . . . . 0.0 111.926 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.99 -26.36 68.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -72.59 -55.01 7.56 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.838 0.855 . . . . 0.0 111.336 170.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -35.96 75.6 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.73 -54.48 15.85 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.109 1.364 . . . . 0.0 112.004 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -39.03 60.13 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 167.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.71 -42.37 74.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.179 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.84 -30.62 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.027 1.331 . . . . 0.0 111.704 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.65 -39.99 95.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.982 0.913 . . . . 0.0 112.15 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -71.79 -15.0 62.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.85 115.86 53.7 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 119.295 0.952 . . . . 0.0 110.585 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.0 -37.9 0.51 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.634 2.223 . . . . 0.0 114.694 -166.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -79.74 -20.46 46.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 0.0 112.866 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.46 137.63 23.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.348 1.459 . . . . 0.0 110.078 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.33 2.0 p -75.26 149.65 38.78 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 173.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -66.63 -13.3 60.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.196 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -79.59 -56.44 4.3 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.696 1.599 . . . . 0.0 113.52 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -54.83 -41.38 70.62 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.194 1.397 . . . . 0.0 112.365 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -48.57 -50.21 33.32 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.842 1.257 . . . . 0.0 111.712 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.19 -30.11 66.17 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 127.199 2.2 . . . . 0.0 112.216 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 -39.73 76.9 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.092 1.315 . . . . 0.0 113.53 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -80.03 -43.44 21.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.39 -50.26 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.202 0.91 . . . . 0.0 110.248 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -53.74 -53.38 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.406 0.622 . . . . 0.0 111.434 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -55.08 -32.65 62.12 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.107 1.363 . . . . 0.0 113.72 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -43.73 71.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.337 1.855 . . . . 0.0 111.556 174.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -61.5 -35.33 77.39 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.288 0.635 . . . . 0.0 110.785 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -70.34 -49.17 52.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.59 1.156 . . . . 0.0 113.674 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -139.76 73.42 34.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.42 -12.64 36.53 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.327 2.018 . . . . 0.0 114.861 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -72.55 -11.09 60.51 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.179 1.354 . . . . 0.0 113.789 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.11 23.09 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.135 1.374 . . . . 0.0 112.954 172.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -52.48 -31.93 37.39 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.902 -1.124 . . . . 0.0 113.741 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -47.79 76.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.129 2.171 . . . . 0.0 111.604 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -78.32 -31.23 48.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.77 1.628 . . . . 0.0 111.791 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.922 0.889 . . . . 0.0 110.871 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.85 -45.74 89.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.7 0.8 . . . . 0.0 110.801 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.55 86.76 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.09 -50.99 71.03 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.425 -0.797 . . . . 0.0 112.814 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.82 83.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.841 0.456 . . . . 0.0 111.566 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -68.5 -48.6 64.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.895 0.878 . . . . 0.0 111.725 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -60.67 -43.8 97.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.399 1.879 . . . . 0.0 112.617 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.9 -30.09 66.34 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.112 0.869 . . . . 0.0 112.489 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -68.77 -35.74 77.44 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.243 -0.911 . . . . 0.0 111.618 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.87 -28.09 63.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.306 1.042 . . . . 0.0 113.395 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.25 93.72 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.156 -0.965 . . . . 0.0 111.076 170.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -99.57 2.9 45.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.126 0.97 . . . . 0.0 113.331 -168.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 126.582 1.953 . . . . 0.0 114.161 168.066 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -72.55 -54.51 8.99 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.346 1.058 . . . . 0.0 111.648 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -63.67 -34.63 78.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.673 0.669 . . . . 0.0 112.34 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.32 -51.5 69.68 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.264 0.483 . . . . 0.0 111.648 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.73 74.42 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -68.71 -54.84 13.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.282 1.433 . . . . 0.0 114.056 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.61 -44.09 65.8 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 166.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.97 -41.31 97.59 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.66 -34.79 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.122 1.369 . . . . 0.0 111.504 174.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.53 -35.55 80.85 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.642 1.177 . . . . 0.0 112.679 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -69.88 -18.73 63.43 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.226 1.01 . . . . 0.0 113.533 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -75.44 115.14 42.73 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.388 1.075 . . . . 0.0 111.396 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.29 -33.16 0.57 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.031 2.487 . . . . 0.0 115.542 -166.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -80.66 -20.3 43.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.155 0.889 . . . . 0.0 112.026 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.88 140.21 43.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.514 1.525 . . . . 0.0 110.298 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -81.77 149.67 28.28 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.53 -32.41 67.05 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.77 0.795 . . . . 0.0 110.471 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -67.72 -48.51 66.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.07 2.148 . . . . 0.0 113.996 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -61.28 -39.91 92.18 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.47 1.108 . . . . 0.0 112.034 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -54.78 -43.49 72.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.344 1.058 . . . . 0.0 111.842 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -50.14 -39.97 44.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.845 2.058 . . . . 0.0 112.916 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.63 -29.92 74.35 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 119.456 1.025 . . . . 0.0 114.55 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.16 -46.47 9.73 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.23 -48.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.715 0.806 . . . . 0.0 110.997 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -54.38 -54.46 40.32 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.995 0.426 . . . . 0.0 111.939 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -57.26 -31.84 65.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.345 1.058 . . . . 0.0 113.85 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -36.57 84.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.745 1.218 . . . . 0.0 112.061 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.19 -45.32 81.24 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.385 -0.822 . . . . 0.0 110.527 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -66.33 -51.98 51.78 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -125.87 63.45 47.54 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.193 1.797 . . . . 0.0 113.717 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -62.11 -18.59 62.72 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.975 2.45 . . . . 0.0 113.966 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.0 p -68.73 -6.11 24.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.818 2.047 . . . . 0.0 115.414 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.23 26.3 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.327 1.451 . . . . 0.0 112.1 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -51.89 -33.08 35.25 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.609 -1.307 . . . . 0.0 113.606 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.75 75.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.718 1.607 . . . . 0.0 112.319 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.79 -27.08 20.23 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.124 1.37 . . . . 0.0 111.233 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -73.87 -42.58 53.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.58 1.152 . . . . 0.0 110.9 170.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.26 -41.12 83.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.704 0.801 . . . . 0.0 110.941 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.49 82.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.708 . . . . 0.0 112.447 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.97 -46.47 65.15 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.283 1.033 . . . . 0.0 113.509 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.75 80.97 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.155 0.434 . . . . 0.0 110.393 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.16 -53.04 51.04 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.074 0.95 . . . . 0.0 111.99 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -29.29 69.2 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -77.78 -31.09 51.71 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.314 0.961 . . . . 0.0 113.59 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -66.54 -38.38 87.02 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.905 1.23 . . . . 0.0 110.984 167.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.72 -29.78 69.11 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.073 1.749 . . . . 0.0 114.519 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.95 55.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.53 1.132 . . . . 0.0 113.836 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -100.92 -7.75 23.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.674 1.189 . . . . 0.0 112.969 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 126.239 1.816 . . . . 0.0 112.535 165.275 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -54.08 -53.79 48.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.759 0.709 . . . . 0.0 111.749 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.59 -33.07 70.99 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.56 0.618 . . . . 0.0 112.369 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -66.63 -60.61 2.56 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.984 1.714 . . . . 0.0 113.099 172.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.0 70.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.83 -56.41 12.04 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.684 1.594 . . . . 0.0 112.533 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -41.93 63.67 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.86 -40.33 91.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.77 1.228 . . . . 0.0 113.015 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.35 -40.62 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 119.667 1.121 . . . . 0.0 111.054 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.78 -23.72 66.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.129 0.972 . . . . 0.0 112.981 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -78.3 -10.78 59.81 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.23 127.22 69.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.214 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -87.71 -36.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.694 2.929 . . . . 0.0 115.065 -172.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -80.1 -18.63 49.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.305 -0.872 . . . . 0.0 112.0 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.5 135.25 57.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.417 1.487 . . . . 0.0 110.419 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.288 2.5 p -76.89 152.52 35.36 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 174.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.85 -24.98 60.0 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 172.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.14 -45.83 15.83 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.44 1.896 . . . . 0.0 112.102 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.38 -44.23 92.8 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.825 1.25 . . . . 0.0 112.82 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -44.65 -48.62 10.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.919 1.688 . . . . 0.0 111.393 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -55.27 -41.39 72.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.124 1.77 . . . . 0.0 113.156 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.34 72.72 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.103 -0.998 . . . . 0.0 114.456 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -90.93 -49.44 6.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.96 -49.28 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.227 1.011 . . . . 0.0 111.686 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -44.1 97.9 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -60.21 -32.56 71.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.294 1.038 . . . . 0.0 112.751 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -27.99 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.8 1.64 . . . . 0.0 113.564 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -71.55 -41.0 69.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.85 0.86 . . . . 0.0 110.831 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -70.69 -52.37 21.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.868 2.067 . . . . 0.0 115.631 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -129.64 63.89 69.72 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 126.65 1.98 . . . . 0.0 115.223 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -61.03 -13.8 29.63 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.395 2.73 . . . . 0.0 113.635 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -60.06 -17.66 41.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 113.048 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.23 26.61 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.964 1.705 . . . . 0.0 113.232 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -43.57 -41.08 4.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.763 1.225 . . . . 0.0 113.712 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -61.65 -35.08 76.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.728 2.411 . . . . 0.0 112.213 -179.072 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -86.63 -35.42 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.376 1.07 . . . . 0.0 112.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.67 -40.56 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.657 0.783 . . . . 0.0 111.174 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.98 -43.91 98.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.338 0.655 . . . . 0.0 110.833 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.98 85.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.76 -45.51 67.91 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.147 0.979 . . . . 0.0 113.192 173.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.44 75.15 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.195 0.452 . . . . 0.0 110.823 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.89 -53.18 34.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.437 1.095 . . . . 0.0 112.22 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -22.62 64.96 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.48 -28.13 31.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.983 0.913 . . . . 0.0 113.373 169.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.31 -39.55 74.73 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.218 -0.926 . . . . 0.0 111.393 167.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.09 -34.61 78.82 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.585 1.954 . . . . 0.0 109.985 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.25 -23.52 57.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -104.99 -1.62 25.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.493 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 126.055 1.742 . . . . 0.0 114.114 172.591 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -56.33 -51.58 67.73 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.795 0.838 . . . . 0.0 111.947 170.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.17 -25.1 65.08 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.28 -65.65 0.65 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.117 1.767 . . . . 0.0 111.696 167.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.78 68.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.73 -55.5 7.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.208 1.003 . . . . 0.0 111.009 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -52.65 -42.99 65.18 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.61 -51.01 70.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.654 1.182 . . . . 0.0 112.949 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.69 -31.27 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.793 1.237 . . . . 0.0 111.372 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 41.7 mt -62.69 -33.55 75.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.766 0.827 . . . . 0.0 113.025 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.37 -27.11 38.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -173.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.1 120.63 63.13 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 119.157 0.89 . . . . 0.0 112.408 -166.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.63 -41.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.959 2.439 . . . . 0.0 115.321 -166.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.58 -19.81 51.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.403 0.681 . . . . 0.0 111.5 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.36 133.63 56.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.375 1.87 . . . . 0.0 110.616 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -73.44 153.81 40.23 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.231 -0.293 . . . . 0.0 111.621 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -66.12 -27.12 67.81 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.283 0.563 . . . . 0.0 111.13 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -67.9 -48.78 65.07 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.162 1.785 . . . . 0.0 113.427 174.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.41 -44.29 88.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.851 1.261 . . . . 0.0 110.854 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 23.5 ttm-85 -51.39 -50.85 58.8 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.227 1.411 . . . . 0.0 111.247 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -53.05 -44.55 67.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.742 1.217 . . . . 0.0 111.595 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.33 -22.34 63.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.803 1.192 . . . . 0.0 115.875 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.49 -47.24 5.74 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.427 1.613 . . . . 0.0 106.651 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.35 -50.48 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.886 1.221 . . . . 0.0 111.809 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -53.73 -54.01 44.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.544 0.338 . . . . 0.0 111.827 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -61.61 -22.92 65.66 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -43.18 80.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 120.284 1.402 . . . . 0.0 111.651 167.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.19 -41.75 99.24 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 121.42 -0.8 . . . . 0.0 110.943 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.47 -47.84 45.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.521 1.528 . . . . 0.0 114.623 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -131.11 60.7 54.89 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.484 1.914 . . . . 0.0 115.858 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.09 -16.0 51.6 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.213 2.609 . . . . 0.0 114.477 -173.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -68.48 -14.59 63.11 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.721 -1.237 . . . . 0.0 113.547 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.51 25.5 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.451 1.1 . . . . 0.0 112.483 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.8 p -45.35 -38.26 5.65 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.766 1.227 . . . . 0.0 113.873 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -46.66 82.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.313 1.845 . . . . 0.0 110.672 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.71 -32.94 53.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.984 1.714 . . . . 0.0 112.765 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.52 -41.3 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.057 0.943 . . . . 0.0 110.252 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.55 -40.8 97.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.524 0.73 . . . . 0.0 111.433 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.46 91.18 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.259 0.936 . . . . 0.0 112.156 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.29 -44.31 65.44 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.372 1.069 . . . . 0.0 112.942 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.71 77.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.677 0.671 . . . . 0.0 111.38 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -69.04 -52.54 27.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.399 1.08 . . . . 0.0 112.443 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -29.08 69.82 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.729 1.15 . . . . 0.0 113.633 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -29.91 44.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.748 1.158 . . . . 0.0 113.215 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -69.65 -45.87 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.929 1.241 . . . . 0.0 111.002 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.1 -21.43 56.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.33 -40.51 70.69 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.968 -0.457 . . . . 0.0 111.948 164.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -81.92 -3.71 54.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.879 0.872 . . . . 0.0 113.197 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 125.909 1.683 . . . . 0.0 111.75 162.873 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -61.96 -53.52 54.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.457 0.571 . . . . 0.0 112.176 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -66.19 -33.12 75.04 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.322 0.965 . . . . 0.0 112.604 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.82 -55.45 32.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.134 0.974 . . . . 0.0 112.648 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.54 73.37 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.77 -55.29 13.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.192 1.797 . . . . 0.0 113.469 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.32 -43.84 64.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 166.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -66.44 -38.78 88.16 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.68 -40.94 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.379 1.072 . . . . 0.0 110.76 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.51 -22.98 67.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.766 1.226 . . . . 0.0 113.815 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.83 60.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.23 119.47 76.54 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.069 0.947 . . . . 0.0 112.043 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.72 -36.58 0.58 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.72 2.947 . . . . 0.0 114.907 -167.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.46 -21.24 28.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.075 0.95 . . . . 0.0 111.161 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.07 135.82 57.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.847 2.059 . . . . 0.0 111.237 173.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -80.96 152.9 27.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -53.74 -37.01 62.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.48 0.712 . . . . 0.0 110.881 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.81 -50.13 58.48 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.226 1.01 . . . . 0.0 112.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.13 -43.62 78.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.245 1.018 . . . . 0.0 111.933 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -53.64 -48.61 69.22 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.519 1.128 . . . . 0.0 111.852 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -55.63 -37.23 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.624 1.57 . . . . 0.0 111.28 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.57 -19.83 75.05 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 119.944 1.247 . . . . 0.0 115.805 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.19 -47.37 6.67 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.24 -48.25 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.278 0.945 . . . . 0.0 111.372 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -53.92 -51.73 62.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.118 0.961 . . . . 0.0 111.846 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 m -58.47 -31.24 67.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.811 1.644 . . . . 0.0 113.436 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -31.02 71.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.718 1.607 . . . . 0.0 112.228 172.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -72.27 -39.18 68.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.234 1.014 . . . . 0.0 111.666 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -68.69 -60.35 2.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.995 1.318 . . . . 0.0 113.527 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -123.23 62.49 21.17 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -170.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -66.06 -7.6 17.55 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.64 2.226 . . . . 0.0 113.703 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -63.53 -11.17 22.06 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.362 1.465 . . . . 0.0 114.527 163.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -121.66 24.72 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.863 1.665 . . . . 0.0 112.436 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -40.18 -45.16 1.98 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.605 1.562 . . . . 0.0 114.424 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.33 -44.05 79.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.938 2.895 . . . . 0.0 111.233 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.27 -31.06 25.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.444 1.497 . . . . 0.0 112.076 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -69.2 -40.04 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.488 0.715 . . . . 0.0 110.493 173.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 -43.42 84.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.425 0.69 . . . . 0.0 110.691 166.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.2 86.29 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.172 0.589 . . . . 0.0 112.571 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.65 -43.03 77.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.516 1.053 . . . . 0.0 113.518 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.03 85.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.871 0.305 . . . . 0.0 110.894 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -66.55 -52.31 47.09 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.271 1.028 . . . . 0.0 112.485 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -26.36 66.77 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.86 -35.18 57.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.197 0.908 . . . . 0.0 112.578 168.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.4 -37.29 86.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.522 1.056 . . . . 0.0 111.616 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.38 -35.0 78.45 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.492 1.117 . . . . 0.0 111.154 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.37 -32.91 72.25 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.35 -2.42 56.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.055 1.342 . . . . 0.0 113.378 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 124.989 1.315 . . . . 0.0 112.718 171.102 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -53.75 -57.11 12.03 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.835 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -57.64 -36.08 71.37 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.909 0.777 . . . . 0.0 113.027 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.42 -59.62 4.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.229 1.412 . . . . 0.0 113.449 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.65 70.04 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.91 -56.52 7.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.619 1.968 . . . . 0.0 113.018 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -41.43 62.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.89 -37.01 83.58 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.3 mt -68.25 -39.03 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 111.374 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.88 -22.35 66.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.845 1.258 . . . . 0.0 113.631 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -73.65 -27.55 61.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.42 1.488 . . . . 0.0 113.998 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.13 125.52 87.82 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.097 0.959 . . . . 0.0 112.633 -163.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -81.9 -34.72 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.688 2.925 . . . . 0.0 115.275 -171.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -84.67 -18.33 35.68 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.596 1.089 . . . . 0.0 112.653 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.22 137.79 58.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.685 1.594 . . . . 0.0 111.063 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 p -85.7 154.55 21.57 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -63.45 -21.38 66.27 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -70.77 -51.11 29.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.598 -1.314 . . . . 0.0 113.669 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -60.34 -48.84 80.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.669 1.188 . . . . 0.0 112.002 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -49.65 -55.85 12.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.627 1.571 . . . . 0.0 111.644 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -29.98 44.81 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.624 1.97 . . . . 0.0 113.072 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.26 -41.73 37.45 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.472 1.033 . . . . 0.0 113.845 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.56 -43.49 38.75 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 mt -56.41 -48.06 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 110.419 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -53.47 -54.05 42.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 120.943 0.401 . . . . 0.0 111.596 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -58.24 -29.88 66.09 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.84 -29.12 66.3 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.516 1.053 . . . . 0.0 113.449 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.93 -42.24 73.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.328 0.651 . . . . 0.0 110.809 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.86 -47.6 37.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.768 1.627 . . . . 0.0 114.111 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -133.02 61.61 57.05 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 127.192 2.197 . . . . 0.0 114.714 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -58.47 -16.7 30.61 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.362 2.708 . . . . 0.0 113.796 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -57.05 -30.69 64.47 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.218 1.407 . . . . 0.0 113.385 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.88 23.26 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.549 1.14 . . . . 0.0 112.818 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -46.28 -37.09 6.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.98 -38.44 76.09 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.21 2.204 . . . . 0.0 112.168 175.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -85.35 -33.97 21.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.648 1.179 . . . . 0.0 111.798 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -67.61 -41.95 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.098 -1.001 . . . . 0.0 111.083 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.94 -47.36 85.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.227 0.467 . . . . 0.0 110.307 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.87 77.3 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.18 -48.98 66.31 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.273 1.029 . . . . 0.0 113.657 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.12 85.66 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.199 0.524 . . . . 0.0 111.514 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.67 -45.85 64.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.275 1.03 . . . . 0.0 111.737 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.24 -50.26 73.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.131 1.772 . . . . 0.0 112.117 170.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.56 -24.76 61.98 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.031 0.832 . . . . 0.0 112.657 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -69.32 -34.62 74.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.14 0.882 . . . . 0.0 111.37 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.76 -32.55 62.09 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.946 0.879 . . . . 0.0 112.643 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.15 69.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.132 0.973 . . . . 0.0 112.13 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -100.21 1.96 42.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.945 1.298 . . . . 0.0 113.218 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 126.77 2.028 . . . . 0.0 112.064 164.253 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -64.34 -58.61 6.0 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.975 0.91 . . . . 0.0 111.413 171.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.89 -36.27 76.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.509 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -58.16 -57.91 10.78 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 172.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -25.67 67.35 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -73.33 -56.63 4.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.798 1.639 . . . . 0.0 112.528 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -39.57 71.65 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.66 -45.82 92.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.859 0.864 . . . . 0.0 112.621 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.51 -37.31 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.966 1.307 . . . . 0.0 111.291 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.64 -19.54 40.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.329 1.052 . . . . 0.0 113.491 172.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -98.9 -7.83 26.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.37 124.98 91.62 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 120.413 1.461 . . . . 0.0 111.059 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -87.99 -30.56 0.25 Allowed 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.078 2.519 . . . . 0.0 115.75 -165.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -85.74 -22.26 27.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.842 -1.161 . . . . 0.0 111.402 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.02 133.86 55.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.06 2.144 . . . . 0.0 111.596 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -78.26 154.44 30.98 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -26.68 63.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.252 1.021 . . . . 0.0 112.874 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -74.7 -47.54 30.92 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.377 1.871 . . . . 0.0 113.731 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 124.479 1.112 . . . . 0.0 111.493 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -43.84 -57.85 3.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.943 2.097 . . . . 0.0 111.818 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.2 -45.64 23.31 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.803 1.641 . . . . 0.0 112.786 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.33 86.96 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-N 119.667 1.121 . . . . 0.0 113.912 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -82.03 -48.82 10.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.4 mt -57.02 -52.93 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.058 0.943 . . . . 0.0 112.256 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -52.51 -50.62 62.42 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.596 0.712 . . . . 0.0 111.426 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.6 m -61.11 -26.52 67.73 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.253 1.421 . . . . 0.0 114.228 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.13 -32.38 61.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.817 2.047 . . . . 0.0 112.902 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -68.41 -34.74 76.54 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.982 -0.449 . . . . 0.0 110.57 170.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.31 -64.43 0.86 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -121.3 69.29 20.7 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.077 1.751 . . . . 0.0 113.393 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -64.71 -8.84 18.74 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.858 2.372 . . . . 0.0 113.875 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -62.47 -35.3 78.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.744 1.617 . . . . 0.0 113.079 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -97.16 24.34 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.711 1.604 . . . . 0.0 112.364 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.3 p -30.32 -48.88 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.786 2.435 . . . . 0.0 114.165 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.85 -41.05 99.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.764 2.026 . . . . 0.0 111.738 -178.225 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.04 -31.18 23.57 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.499 1.12 . . . . 0.0 111.998 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.27 -42.64 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.694 0.797 . . . . 0.0 109.947 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.23 -44.18 97.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.546 0.739 . . . . 0.0 111.457 170.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.01 74.7 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.15 0.886 . . . . 0.0 113.196 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.2 -51.32 54.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.37 1.068 . . . . 0.0 112.573 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.8 75.24 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 117.945 0.339 . . . . 0.0 111.618 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.49 -51.69 54.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.343 1.057 . . . . 0.0 111.406 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -60.63 -41.06 94.15 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.749 1.219 . . . . 0.0 113.03 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.09 -27.8 60.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.985 0.514 . . . . 0.0 112.337 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.09 -35.81 76.9 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.091 -1.006 . . . . 0.0 111.073 166.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -38.45 90.61 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.191 1.397 . . . . 0.0 114.113 173.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.1 65.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.772 1.629 . . . . 0.0 113.169 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -112.72 -6.63 13.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.461 1.104 . . . . 0.0 111.93 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.923 0 C-N-CA 126.415 1.886 . . . . 0.0 112.843 171.791 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.79 -52.6 49.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.535 1.134 . . . . 0.0 112.409 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.31 -27.99 69.0 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -66.98 -50.92 60.75 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.763 1.225 . . . . 0.0 112.747 168.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.75 72.81 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.153 0.888 . . . . 0.0 112.833 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -70.68 -52.35 21.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.392 1.477 . . . . 0.0 109.889 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -49.57 -44.78 47.13 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 166.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -69.69 -40.43 76.37 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.894 1.278 . . . . 0.0 113.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.79 -39.69 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.759 1.224 . . . . 0.0 110.878 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.84 -26.89 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.409 1.083 . . . . 0.0 112.922 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -21.94 61.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.7 114.63 38.42 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 119.982 1.264 . . . . 0.0 111.478 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.63 -29.66 0.74 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.25 2.633 . . . . 0.0 114.482 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.83 -11.02 59.85 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.416 -0.803 . . . . 0.0 111.028 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.31 130.26 39.35 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.986 1.714 . . . . 0.0 110.645 172.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 p -79.37 156.71 27.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.363 0.665 . . . . 0.0 112.784 168.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.37 -33.34 72.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 111.361 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -69.13 -31.99 71.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.424 1.49 . . . . 0.0 114.623 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.42 -43.69 31.7 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.1 1.36 . . . . 0.0 111.308 170.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -51.02 -49.08 61.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.932 2.093 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -45.14 -45.94 11.61 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.398 1.879 . . . . 0.0 113.912 172.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.97 72.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-N 119.29 0.95 . . . . 0.0 114.079 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.12 -49.39 6.78 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -56.59 -50.99 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.58 1.082 . . . . 0.0 111.576 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.93 -47.6 84.47 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.304 0.574 . . . . 0.0 111.687 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.8 m -55.99 -33.91 65.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.764 1.626 . . . . 0.0 113.724 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -41.09 87.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.373 1.869 . . . . 0.0 111.912 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -65.56 -34.47 78.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.603 -0.685 . . . . 0.0 111.455 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -75.5 -46.04 34.68 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.911 1.284 . . . . 0.0 113.546 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -141.1 77.42 20.48 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.788 1.635 . . . . 0.0 115.138 -174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.99 -9.65 26.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.926 2.417 . . . . 0.0 114.482 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -64.24 -15.3 59.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.867 1.267 . . . . 0.0 114.32 173.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.54 23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.211 1.404 . . . . 0.0 110.777 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -51.86 -34.87 42.81 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.277 1.399 . . . . 0.0 113.793 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.04 82.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.376 1.07 . . . . 0.0 111.976 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.63 -35.87 57.79 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.94 1.696 . . . . 0.0 110.536 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.14 -41.66 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.973 1.309 . . . . 0.0 110.414 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.21 -44.49 95.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.493 0.717 . . . . 0.0 110.673 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.9 83.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.014 0.526 . . . . 0.0 112.238 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.31 -43.45 81.65 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.1 -1.0 . . . . 0.0 113.652 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.765 0.317 . . . . 0.0 111.146 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.24 -44.32 72.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.383 1.073 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.94 -45.08 93.77 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 127.557 2.343 . . . . 0.0 112.464 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.62 -33.73 64.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.049 0.539 . . . . 0.0 112.133 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.71 -33.73 75.7 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.988 0.813 . . . . 0.0 111.088 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.13 -35.99 74.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.89 62.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.882 1.273 . . . . 0.0 113.308 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -106.97 0.03 23.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.396 1.078 . . . . 0.0 112.726 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 125.218 1.407 . . . . 0.0 112.773 168.382 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -53.84 -58.18 8.2 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.592 -0.692 . . . . 0.0 111.708 164.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -64.36 -25.4 68.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.633 1.106 . . . . 0.0 113.958 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -61.72 -69.48 0.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.913 1.285 . . . . 0.0 112.055 164.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -60.8 -23.86 65.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -176.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.57 -58.21 3.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.974 1.71 . . . . 0.0 111.209 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.03 -44.36 64.18 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 170.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.67 -47.04 82.84 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.821 0.848 . . . . 0.0 112.401 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.17 -36.58 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.427 0.558 . . . . 0.0 110.93 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.78 -23.13 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 170.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.29 -28.75 18.57 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.75 121.11 32.21 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.53 1.132 . . . . 0.0 112.885 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.15 -35.9 3.72 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.425 2.75 . . . . 0.0 115.915 -160.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -87.64 -5.34 58.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.704 1.202 . . . . 0.0 112.032 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.34 134.8 39.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.557 1.543 . . . . 0.0 110.404 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 p -74.26 154.8 38.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.181 0.515 . . . . 0.0 112.018 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.46 -29.49 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.224 -0.298 . . . . 0.0 111.615 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -68.02 -55.31 13.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.213 1.405 . . . . 0.0 113.667 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -55.0 -42.77 72.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.183 0.993 . . . . 0.0 111.507 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -42.66 -52.19 4.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.489 1.516 . . . . 0.0 112.31 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -55.06 -42.58 72.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.214 0.915 . . . . 0.0 112.585 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.36 -6.65 49.15 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -111.18 -47.55 3.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 168.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.7 -48.43 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.89 1.276 . . . . 0.0 111.069 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -58.6 -51.92 67.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.085 0.469 . . . . 0.0 111.748 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 m -54.69 -32.62 59.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.622 1.169 . . . . 0.0 113.334 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 12' ' ' ALA . 15.2 tp -69.77 -31.97 70.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.535 1.134 . . . . 0.0 113.803 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.85 -35.92 81.15 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.835 -0.54 . . . . 0.0 110.477 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.31 -45.5 14.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.137 1.375 . . . . 0.0 113.967 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -133.14 59.2 40.38 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.244 1.818 . . . . 0.0 113.494 -169.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -59.27 -18.55 45.59 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.33 3.354 . . . . 0.0 114.6 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -64.44 -19.7 65.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.635 1.561 . . . . 0.0 113.101 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -101.39 23.47 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.878 -1.139 . . . . 0.0 111.9 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -46.5 -41.57 14.29 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.896 -1.127 . . . . 0.0 113.661 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.94 -36.7 82.17 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.609 2.364 . . . . 0.0 111.977 179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.2 -36.27 24.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.661 1.585 . . . . 0.0 111.049 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.16 -38.94 72.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.382 1.473 . . . . 0.0 110.517 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.01 -48.88 79.87 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.933 0.893 . . . . 0.0 110.219 167.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.06 -40.75 81.81 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.63 -47.8 79.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.4 87.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.892 0.477 . . . . 0.0 111.64 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.06 -45.19 67.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.813 1.245 . . . . 0.0 111.953 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.75 -47.73 84.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 172.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.44 -29.96 67.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.188 0.904 . . . . 0.0 112.094 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.52 -38.19 88.95 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.233 -0.917 . . . . 0.0 111.295 167.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -35.02 74.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.64 61.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.382 1.473 . . . . 0.0 113.216 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -115.33 3.92 14.3 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.233 1.413 . . . . 0.0 112.066 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 125.769 1.628 . . . . 0.0 111.529 163.822 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.09 -54.15 42.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.504 -0.748 . . . . 0.0 112.249 174.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -32.39 73.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.335 0.654 . . . . 0.0 111.741 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.19 -57.93 8.9 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.177 1.391 . . . . 0.0 112.07 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -31.41 66.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -68.37 -57.88 5.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.609 1.564 . . . . 0.0 113.302 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -44.81 27.54 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 166.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -64.21 -44.09 93.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.421 1.088 . . . . 0.0 113.23 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.44 -30.79 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.704 1.202 . . . . 0.0 111.935 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.34 -32.86 74.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.15 0.98 . . . . 0.0 112.534 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.19 -24.68 57.86 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.86 119.5 69.88 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.225 1.01 . . . . 0.0 112.314 -168.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.89 -35.28 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.953 2.435 . . . . 0.0 114.979 -166.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -78.86 -22.3 46.24 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.212 0.914 . . . . 0.0 112.528 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.05 141.1 51.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.126 2.171 . . . . 0.0 111.273 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -91.01 160.01 15.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 173.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.53 -33.79 74.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.805 0.812 . . . . 0.0 111.816 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.21 -43.34 98.41 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.079 1.351 . . . . 0.0 112.823 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.71 -49.77 64.97 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 111.785 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -51.82 -54.19 31.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.162 1.785 . . . . 0.0 111.337 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -37.34 74.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.211 1.404 . . . . 0.0 111.392 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.82 96.9 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.056 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -82.71 -47.27 12.18 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.204 1.502 . . . . 0.0 107.271 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.42 -51.67 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.579 0.752 . . . . 0.0 111.365 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -59.76 -46.16 90.03 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 122.035 0.922 . . . . 0.0 111.092 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -57.48 -30.91 65.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.181 1.393 . . . . 0.0 114.018 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.53 82.43 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.065 1.346 . . . . 0.0 111.513 172.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.91 -44.14 66.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.026 0.93 . . . . 0.0 110.991 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -64.84 -44.1 90.9 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -136.79 64.09 48.63 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 114.494 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.0 -14.02 40.94 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.242 1.961 . . . . 0.0 113.364 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.9 p -54.13 -26.39 27.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.512 1.125 . . . . 0.0 113.309 169.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.3 23.61 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.413 1.485 . . . . 0.0 112.309 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -42.25 -44.9 3.98 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.999 1.319 . . . . 0.0 113.758 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.79 -36.24 80.51 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.043 2.537 . . . . 0.0 112.241 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -88.51 -33.79 17.65 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.838 1.255 . . . . 0.0 111.381 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.58 -37.96 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.382 1.073 . . . . 0.0 110.581 175.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.64 -46.68 86.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.3 0.64 . . . . 0.0 110.884 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.26 72.35 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.71 -55.09 16.67 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.703 1.601 . . . . 0.0 113.48 169.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.24 75.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.669 0.388 . . . . 0.0 111.968 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -68.72 -50.67 48.89 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.098 0.959 . . . . 0.0 111.517 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -46.1 77.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.059 1.344 . . . . 0.0 112.251 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.98 -26.79 63.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.078 -1.014 . . . . 0.0 113.538 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.41 -38.71 71.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.547 1.067 . . . . 0.0 111.085 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.64 -35.09 74.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.19 66.72 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 112.337 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -99.53 -13.61 19.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.719 1.208 . . . . 0.0 112.642 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.934 0 C-N-CA 125.134 1.374 . . . . 0.0 112.543 169.31 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.99 -51.22 71.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.688 0.395 . . . . 0.0 111.159 172.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.86 -31.96 73.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.085 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -59.07 -63.17 1.4 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.681 1.192 . . . . 0.0 111.309 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.29 71.24 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.03 -55.5 14.14 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.475 1.11 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -51.78 -45.97 63.98 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 167.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.5 -37.74 88.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.252 1.421 . . . . 0.0 113.318 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.6 mt -69.52 -44.11 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.482 1.113 . . . . 0.0 111.048 172.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.8 -18.1 64.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.137 1.375 . . . . 0.0 114.123 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -79.63 -21.82 44.37 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.558 1.543 . . . . 0.0 113.562 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.89 112.79 22.01 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 119.655 1.116 . . . . 0.0 111.221 -170.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.76 -30.79 5.8 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.964 2.442 . . . . 0.0 114.108 -165.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -84.25 -11.12 57.0 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.043 -1.036 . . . . 0.0 112.661 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.12 135.37 50.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.41 1.484 . . . . 0.0 111.46 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.254 3.8 p -73.44 151.94 40.94 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -67.63 -20.78 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.317 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.25 -47.89 25.96 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.743 1.617 . . . . 0.0 113.492 167.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.2 -42.1 90.13 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.701 1.2 . . . . 0.0 111.843 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -49.75 -52.47 31.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.702 1.601 . . . . 0.0 111.602 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -57.52 -33.0 67.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.331 1.852 . . . . 0.0 112.368 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.16 -45.22 88.24 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 125.391 1.472 . . . . 0.0 113.123 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.77 -47.2 9.97 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.13 -47.74 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.126 0.875 . . . . 0.0 111.839 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -46.21 88.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -65.05 -26.03 68.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -41.14 97.53 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.978 1.311 . . . . 0.0 112.06 169.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.24 -41.25 94.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.77 0.828 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -64.35 -53.27 51.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -131.45 65.46 76.22 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 115.603 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -60.9 -15.92 41.55 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.195 2.597 . . . . 0.0 115.255 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 m -62.48 -21.69 65.67 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.5 1.12 . . . . 0.0 113.657 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -109.16 23.66 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 113.078 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -41.3 -41.82 2.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.146 1.378 . . . . 0.0 114.567 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.13 -37.19 84.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.335 2.654 . . . . 0.0 112.506 -179.352 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -80.23 -38.67 30.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.841 0.856 . . . . 0.0 111.978 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.19 -39.97 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 110.517 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.74 -43.77 98.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.716 171.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.99 81.02 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.35 -47.48 73.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 113.22 172.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.45 85.97 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.084 0.402 . . . . 0.0 111.06 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.81 -45.38 78.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.236 1.014 . . . . 0.0 111.686 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -60.56 -46.89 88.53 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.902 1.681 . . . . 0.0 112.905 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.78 -22.65 60.8 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.544 -0.723 . . . . 0.0 112.835 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.51 -36.81 76.8 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.68 -0.637 . . . . 0.0 111.263 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.55 -29.59 68.18 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.45 65.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 113.535 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -116.44 -9.48 11.45 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 112.345 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 126.875 2.07 . . . . 0.0 113.504 168.345 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.13 -55.21 37.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.765 -0.584 . . . . 0.0 111.719 170.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.47 -28.5 69.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.737 0.415 . . . . 0.0 111.959 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.56 -67.85 0.32 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.056 1.342 . . . . 0.0 112.085 164.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.46 64.14 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.17 -58.93 3.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.613 1.565 . . . . 0.0 112.538 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.02 -43.94 63.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -59.2 -41.85 89.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.892 0.877 . . . . 0.0 112.827 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.6 -28.31 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.623 1.169 . . . . 0.0 111.911 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.72 -20.33 61.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.131 . . . . 0.0 113.473 167.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -85.29 -15.2 44.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.878 1.271 . . . . 0.0 113.203 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.77 121.28 80.68 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 120.637 1.562 . . . . 0.0 111.644 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.56 -31.28 2.07 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.405 2.736 . . . . 0.0 114.67 -167.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -88.7 -28.18 20.73 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.022 0.828 . . . . 0.0 112.712 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.01 139.03 53.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.205 1.802 . . . . 0.0 112.211 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 p -80.45 153.72 28.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.11 -28.22 67.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.002 1.321 . . . . 0.0 111.976 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.88 -50.14 25.64 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.751 1.62 . . . . 0.0 112.747 171.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.6 -41.94 91.48 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.026 0.93 . . . . 0.0 112.049 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -49.63 -46.08 49.05 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.272 1.429 . . . . 0.0 111.708 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -54.64 -40.84 69.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 112.985 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.75 -21.81 71.4 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.098 -0.834 . . . . 0.0 114.685 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -96.87 -47.17 5.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 173.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.43 -47.81 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.246 1.018 . . . . 0.0 112.244 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -52.75 -51.98 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.249 0.547 . . . . 0.0 111.794 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -28.87 69.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.33 -26.87 66.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.772 1.169 . . . . 0.0 113.355 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -72.34 -42.91 64.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.288 0.635 . . . . 0.0 110.483 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -73.97 -49.27 25.26 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.339 2.256 . . . . 0.0 116.191 -176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -125.51 63.34 44.31 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 128.466 2.706 . . . . 0.0 114.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -57.91 -20.1 42.84 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.336 2.69 . . . . 0.0 114.186 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -69.04 -18.47 64.03 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.933 -1.104 . . . . 0.0 113.591 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.26 10.7 m -101.09 26.53 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.594 1.158 . . . . 0.0 112.719 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -37.32 -42.98 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.18 1.792 . . . . 0.0 114.33 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.85 87.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.087 1.755 . . . . 0.0 111.76 -177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.45 -36.56 38.66 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.449 1.5 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.93 -42.36 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.484 1.114 . . . . 0.0 110.237 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.08 -49.84 74.36 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.056 0.942 . . . . 0.0 111.351 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.81 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.852 0.861 . . . . 0.0 113.063 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.52 -46.97 58.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.32 84.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.199 0.454 . . . . 0.0 111.287 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -46.37 72.92 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.852 1.261 . . . . 0.0 111.954 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.97 -47.02 87.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 112.511 174.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.43 -27.06 62.09 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -70.58 -35.14 72.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.114 0.87 . . . . 0.0 111.384 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.47 -34.67 78.46 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.11 77.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.342 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -91.87 0.71 57.47 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.045 0.938 . . . . 0.0 113.012 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 126.4 1.88 . . . . 0.0 111.422 163.85 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -52.25 -53.84 38.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.47 0.708 . . . . 0.0 112.491 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.95 -38.85 87.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.354 0.525 . . . . 0.0 112.156 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.63 -47.26 73.16 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.089 1.356 . . . . 0.0 112.576 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 45' ' ' LEU . . . -66.43 -28.89 68.96 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.016 0.913 . . . . 0.0 112.363 178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -72.23 -53.55 12.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 112.04 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -48.2 -45.9 34.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 166.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.76 -36.73 67.64 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.795 1.238 . . . . 0.0 112.848 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -79.1 -40.58 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 110.854 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.22 -24.5 67.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.481 1.112 . . . . 0.0 113.961 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -97.09 2.94 51.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.59 124.39 87.82 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.592 1.087 . . . . 0.0 111.236 174.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.53 -33.95 0.84 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.064 2.51 . . . . 0.0 115.35 -168.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -87.49 -21.33 25.55 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.237 0.926 . . . . 0.0 112.438 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 134.41 56.97 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.584 1.554 . . . . 0.0 111.884 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -78.82 159.31 27.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -54.86 -37.57 66.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.135 0.574 . . . . 0.0 111.09 172.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.37 -43.89 38.8 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.821 1.248 . . . . 0.0 112.581 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.23 -45.01 92.3 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.134 0.974 . . . . 0.0 112.043 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -50.59 -46.91 58.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.186 1.395 . . . . 0.0 111.38 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -49.02 -44.89 41.82 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.362 1.865 . . . . 0.0 113.518 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.08 -26.75 74.44 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-N 119.338 0.972 . . . . 0.0 113.823 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.71 -49.12 7.34 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -53.39 -53.67 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.338 1.055 . . . . 0.0 111.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -45.13 94.56 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.045 -0.409 . . . . 0.0 110.794 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -60.45 -32.0 70.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 tp -64.68 -34.78 79.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.343 1.057 . . . . 0.0 112.604 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.04 -38.72 82.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.504 0.722 . . . . 0.0 111.456 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.25 -46.37 56.26 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -132.22 71.32 79.76 Favored Pre-proline 0 CA--C 1.549 0.94 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -65.06 -14.32 44.58 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.4 2.067 . . . . 0.0 113.401 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -64.25 -22.96 67.13 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.306 1.442 . . . . 0.0 112.984 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -106.57 27.37 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.646 1.578 . . . . 0.0 112.679 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.2 p -42.12 -41.0 2.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.803 1.241 . . . . 0.0 113.664 175.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.11 -43.13 82.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.785 2.034 . . . . 0.0 111.552 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.67 -36.7 51.01 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.407 1.083 . . . . 0.0 112.704 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -70.23 -39.09 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.536 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 12' ' ' ALA . 6.0 mp -59.56 -48.58 81.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.161 0.985 . . . . 0.0 110.256 168.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.81 80.85 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.527 0.603 . . . . 0.0 112.517 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.6 -49.87 55.97 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.08 -39.04 77.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.433 0.635 . . . . 0.0 110.748 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -73.59 -41.93 62.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.027 1.331 . . . . 0.0 112.981 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.71 -47.88 83.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.895 1.678 . . . . 0.0 111.749 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.14 -34.29 70.87 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.644 0.778 . . . . 0.0 112.617 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -64.71 -32.07 73.58 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.064 -1.022 . . . . 0.0 111.079 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.69 -29.06 61.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.3 59.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.014 0.925 . . . . 0.0 112.947 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -98.86 -3.82 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.69 1.196 . . . . 0.0 112.652 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 126.754 2.021 . . . . 0.0 111.177 164.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -56.31 -54.83 40.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.947 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.68 -35.57 78.37 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.048 1.294 . . . . 0.0 112.489 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.02 -61.27 2.67 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.044 1.738 . . . . 0.0 112.802 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.86 71.91 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -69.08 -53.83 18.27 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.025 1.33 . . . . 0.0 111.688 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.38 -42.55 70.49 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 116.069 1.878 . . . . 0.0 116.069 168.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -67.4 -34.14 76.65 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 44' ' ' ILE . 42.0 mt -68.13 -40.66 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.942 169.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.4 -21.97 66.81 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.379 1.072 . . . . 0.0 113.23 172.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -84.68 -3.09 58.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.813 2.045 . . . . 0.0 114.498 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.45 109.1 33.85 Favored Pre-proline 0 CA--C 1.549 0.934 0 O-C-N 120.845 -1.159 . . . . 0.0 111.76 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.95 -29.57 14.92 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.453 2.769 . . . . 0.0 114.343 -168.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.05 -6.26 54.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.077 0.951 . . . . 0.0 112.312 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.81 136.15 46.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.575 1.55 . . . . 0.0 110.301 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -74.63 152.14 39.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.432 0.56 . . . . 0.0 112.238 166.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -27.63 69.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.408 -0.182 . . . . 0.0 111.436 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.78 -44.59 61.36 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -57.07 -44.2 82.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.986 0.914 . . . . 0.0 111.136 170.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -50.73 -50.51 55.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.577 1.951 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -50.11 -43.56 51.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.859 1.664 . . . . 0.0 112.576 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -19.53 71.93 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.607 -1.107 . . . . 0.0 114.717 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -94.51 -49.5 5.63 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.179 1.489 . . . . 0.0 107.712 172.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.56 -47.74 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.452 0.701 . . . . 0.0 110.919 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.16 -47.46 83.31 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 m -58.95 -34.72 72.08 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -25.49 66.76 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.049 0.939 . . . . 0.0 113.53 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -72.03 -40.55 68.33 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.74 0.816 . . . . 0.0 111.227 170.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.4 -52.28 11.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.769 1.628 . . . . 0.0 114.631 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -126.11 61.07 38.96 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.344 2.258 . . . . 0.0 114.433 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -61.3 -12.1 22.19 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.116 3.21 . . . . 0.0 115.289 -172.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -68.26 -32.67 73.01 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.618 1.553 . . . . 0.0 112.042 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.27 23.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 120.786 -1.196 . . . . 0.0 112.958 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.6 p -40.76 -39.03 1.01 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.202 1.801 . . . . 0.0 114.025 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.53 -47.48 85.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.227 1.811 . . . . 0.0 110.632 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.85 -40.82 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.726 1.21 . . . . 0.0 111.77 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 16' ' ' ILE . 32.7 mm -63.09 -37.07 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.859 -0.525 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.04 -45.44 77.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.147 0.979 . . . . 0.0 112.583 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.2 80.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.897 0.771 . . . . 0.0 111.218 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.92 -45.77 48.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.36 72.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.038 0.381 . . . . 0.0 110.852 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -69.51 -50.53 44.27 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.032 0.933 . . . . 0.0 111.709 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.0 ttpt -53.29 -48.11 68.63 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 112.368 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 16.7 mt -70.3 -36.26 74.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.18 0.592 . . . . 0.0 112.417 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.24 -38.44 83.44 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.279 0.945 . . . . 0.0 111.131 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.15 -26.71 42.74 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.8 70.93 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.375 0.67 . . . . 0.0 111.924 167.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.19 -4.81 55.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.981 0.912 . . . . 0.0 113.344 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 126.866 2.067 . . . . 0.0 113.904 168.86 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.29 -54.68 37.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.566 0.747 . . . . 0.0 111.629 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.02 -29.65 70.05 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.024 -172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.74 -57.22 13.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.97 1.708 . . . . 0.0 111.968 167.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.22 69.44 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -75.97 -53.54 8.23 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.012 1.325 . . . . 0.0 111.143 -174.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.04 -41.93 60.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 166.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -68.96 -42.87 76.04 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.76 -31.62 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.234 1.014 . . . . 0.0 111.534 174.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.34 -34.23 74.94 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.966 0.906 . . . . 0.0 112.512 166.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.58 -15.05 59.0 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.81 118.33 71.02 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 120.356 1.434 . . . . 0.0 112.111 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.98 -31.29 1.05 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.154 2.569 . . . . 0.0 115.048 -168.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -85.08 -3.06 58.66 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.332 0.969 . . . . 0.0 112.482 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 142.05 40.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.284 1.834 . . . . 0.0 110.615 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 p -77.76 154.34 32.07 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.569 1.077 . . . . 0.0 112.115 166.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.03 -29.65 70.78 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 122.151 -0.343 . . . . 0.0 111.3 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.27 -42.95 65.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.051 1.74 . . . . 0.0 112.798 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -57.65 -44.2 85.46 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -54.28 -54.32 41.83 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.665 1.186 . . . . 0.0 111.449 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -53.4 -41.46 65.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.203 1.001 . . . . 0.0 110.688 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -43.97 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.317 -1.269 . . . . 0.0 114.374 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -84.26 -45.86 12.43 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.83 1.815 . . . . 0.0 107.73 178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.2 mt -54.66 -47.93 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.065 0.546 . . . . 0.0 110.997 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.53 -55.48 28.7 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.308 0.575 . . . . 0.0 112.199 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.4 m -58.53 -28.75 65.75 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -44.49 95.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.074 1.75 . . . . 0.0 111.546 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.45 -40.27 86.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.661 0.785 . . . . 0.0 111.401 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.59 -38.11 55.38 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -132.12 59.94 47.71 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.0 -10.05 27.19 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.811 2.341 . . . . 0.0 115.281 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -77.01 -2.09 32.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.878 1.271 . . . . 0.0 113.475 171.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.0 27.37 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.417 1.087 . . . . 0.0 111.802 167.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -53.38 -34.11 56.36 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.021 -1.049 . . . . 0.0 113.372 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -41.85 93.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.591 0.756 . . . . 0.0 112.317 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -79.49 -34.49 41.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.216 1.406 . . . . 0.0 110.41 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.4 -39.06 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.521 1.528 . . . . 0.0 110.929 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.83 -49.88 74.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.449 0.699 . . . . 0.0 109.743 165.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.29 75.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.389 0.676 . . . . 0.0 112.818 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.94 -50.78 70.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.321 0.964 . . . . 0.0 113.516 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.54 75.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.806 0.443 . . . . 0.0 111.635 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -73.06 -46.03 53.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.392 1.477 . . . . 0.0 112.524 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 12.5 ttpt -58.1 -48.08 81.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.431 1.892 . . . . 0.0 111.93 172.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 11.5 mt -70.11 -35.95 74.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.418 0.687 . . . . 0.0 112.23 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -61.01 -36.86 80.62 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.05 0.841 . . . . 0.0 110.931 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.35 -32.03 66.14 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.39 -21.8 55.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.754 1.222 . . . . 0.0 113.669 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -100.07 -8.89 23.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.99 0.916 . . . . 0.0 112.373 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 125.837 1.655 . . . . 0.0 113.659 171.404 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.22 -51.86 64.57 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.923 1.289 . . . . 0.0 112.221 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.69 -28.94 70.29 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.66 -59.23 5.21 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.384 1.074 . . . . 0.0 112.351 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.04 68.4 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.71 -56.35 6.6 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -49.11 -49.34 42.41 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 165.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -61.58 -41.34 97.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.6 mt -71.54 -39.17 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 111.762 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.57 -31.08 71.12 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.281 -0.887 . . . . 0.0 112.682 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.97 -7.49 56.88 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.06 118.89 75.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 120.609 -1.307 . . . . 0.0 110.912 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.71 -30.95 2.72 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.232 2.621 . . . . 0.0 115.353 -166.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -89.2 -18.22 27.53 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.802 1.183 . . . . 0.0 113.354 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.62 132.82 53.63 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.95 1.7 . . . . 0.0 111.16 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -74.65 151.13 39.34 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.994 -0.441 . . . . 0.0 110.704 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.0 -27.01 67.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.878 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -60.54 -52.56 64.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.555 1.942 . . . . 0.0 111.783 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.05 -46.63 85.08 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.149 1.38 . . . . 0.0 111.732 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -54.27 -53.1 58.32 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 110.554 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -36.85 38.67 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.435 1.894 . . . . 0.0 113.478 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.28 -43.04 99.65 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 121.189 -0.944 . . . . 0.0 113.069 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -80.56 -49.49 11.26 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -57.8 -48.18 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.793 0.837 . . . . 0.0 111.894 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -44.73 94.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.389 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -64.05 -25.72 68.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -30.87 71.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 119.672 1.124 . . . . 0.0 112.406 169.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -76.58 -27.28 55.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.826 1.251 . . . . 0.0 112.002 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -79.9 -51.56 8.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.477 1.511 . . . . 0.0 112.249 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -132.12 66.54 77.66 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 126.566 1.947 . . . . 0.0 114.756 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.36 -9.73 24.98 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.85 2.367 . . . . 0.0 115.906 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -77.53 -18.13 57.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.549 1.522 . . . . 0.0 113.617 169.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.291 6.2 m -93.65 20.78 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 120.974 -1.079 . . . . 0.0 112.68 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -45.01 -43.43 9.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.243 1.417 . . . . 0.0 112.388 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -59.34 -47.14 86.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.365 2.266 . . . . 0.0 110.541 178.489 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.52 -29.96 52.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.893 1.277 . . . . 0.0 111.808 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -75.94 -40.42 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.885 1.674 . . . . 0.0 110.58 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.21 -45.94 89.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.089 0.956 . . . . 0.0 110.845 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.9 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.368 0.667 . . . . 0.0 112.778 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.43 -53.37 57.46 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.49 1.516 . . . . 0.0 112.139 174.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.73 79.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.385 0.674 . . . . 0.0 111.818 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -70.71 -45.46 64.89 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.948 0.899 . . . . 0.0 112.059 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -60.79 -44.14 97.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.391 1.477 . . . . 0.0 112.11 171.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.51 -25.6 62.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.01 -37.83 78.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.023 0.829 . . . . 0.0 111.61 166.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.31 -37.99 84.25 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -20.48 65.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.94 0.896 . . . . 0.0 112.317 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -107.87 3.63 24.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.545 1.138 . . . . 0.0 112.682 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 C-N-CA 125.74 1.616 . . . . 0.0 112.362 170.716 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' CG ' ' HB3' ' A' ' 38' ' ' PRO . 81.3 mt-30 -55.35 -55.14 34.95 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.517 0.599 . . . . 0.0 112.09 171.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -61.71 -30.99 71.11 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -61.72 -64.08 1.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.767 2.027 . . . . 0.0 112.309 167.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.87 69.73 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.79 -55.31 15.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.746 1.618 . . . . 0.0 110.806 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.64 -43.41 62.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.636 2.088 . . . . 0.0 116.636 168.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -66.59 -40.15 88.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.914 1.286 . . . . 0.0 113.804 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.86 -40.19 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.534 1.133 . . . . 0.0 110.833 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -20.62 63.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.621 1.168 . . . . 0.0 113.627 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.05 -17.35 52.97 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.11 118.21 71.33 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.302 0.955 . . . . 0.0 111.743 -171.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.84 -38.45 0.36 Allowed 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.07 2.513 . . . . 0.0 114.836 -167.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -79.59 -10.9 59.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.156 0.982 . . . . 0.0 113.011 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.86 137.76 57.96 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.292 1.037 . . . . 0.0 110.296 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.3 2.9 p -73.67 151.24 40.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.27 -14.91 29.86 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.046 1.338 . . . . 0.0 113.026 173.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.03 -55.25 3.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.893 1.677 . . . . 0.0 112.653 165.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -50.83 -42.28 58.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.084 1.353 . . . . 0.0 113.028 -172.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -49.71 -53.17 26.3 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.507 1.523 . . . . 0.0 111.615 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.75 -29.39 69.36 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.72 2.008 . . . . 0.0 111.392 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.94 -43.5 95.88 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 119.534 1.061 . . . . 0.0 114.025 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.74 -44.39 33.35 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.03 -45.08 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.164 0.586 . . . . 0.0 111.755 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -51.5 -52.28 48.08 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.902 -0.499 . . . . 0.0 111.941 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -59.57 -30.23 68.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.503 1.521 . . . . 0.0 114.14 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.0 -25.8 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.829 2.052 . . . . 0.0 113.533 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -70.01 -34.27 73.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.06 0.544 . . . . 0.0 111.393 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -76.35 -52.22 10.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.019 2.528 . . . . 0.0 116.506 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -130.15 68.66 81.32 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HB3' ' CG ' ' A' ' 9' ' ' GLN . 44.7 Cg_endo -60.69 -18.41 55.25 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.306 2.67 . . . . 0.0 115.355 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -53.33 -35.35 60.1 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.025 -1.047 . . . . 0.0 113.042 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -97.72 23.55 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.469 1.107 . . . . 0.0 112.025 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.5 m -44.97 -37.97 4.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.679 1.192 . . . . 0.0 113.704 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.35 95.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.351 1.461 . . . . 0.0 111.843 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.75 -32.31 23.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.928 1.291 . . . . 0.0 110.615 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -66.64 -39.71 84.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.52 -0.738 . . . . 0.0 110.537 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.63 -41.93 98.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.922 0.889 . . . . 0.0 111.625 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.64 99.12 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.189 0.596 . . . . 0.0 111.484 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.98 -40.17 75.51 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.1 95.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.499 0.59 . . . . 0.0 111.045 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -65.0 -49.25 70.95 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.83 0.852 . . . . 0.0 112.5 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -32.57 70.73 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.28 -28.86 61.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.811 1.187 . . . . 0.0 113.127 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.54 -39.51 85.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.476 1.035 . . . . 0.0 111.209 168.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -31.15 71.09 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 114.301 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.52 64.95 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.354 -0.841 . . . . 0.0 112.973 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -101.33 -11.09 19.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.211 1.004 . . . . 0.0 112.899 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.003 0 C-N-CA 126.823 2.049 . . . . 0.0 112.098 163.84 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.89 -46.13 89.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.593 0.757 . . . . 0.0 112.148 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -60.07 -31.01 69.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.18 -51.86 33.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 112.455 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.64 73.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.747 . . . . 0.0 112.363 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.86 -52.91 37.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.653 1.581 . . . . 0.0 111.569 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.6 -45.77 38.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.78 -39.84 91.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.741 1.616 . . . . 0.0 113.997 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.56 -39.49 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.115 1.366 . . . . 0.0 111.71 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.34 -27.27 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.062 0.945 . . . . 0.0 113.412 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -79.47 -11.23 59.91 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.87 126.5 86.96 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 119.644 1.111 . . . . 0.0 112.721 -170.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.23 -32.59 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.049 2.5 . . . . 0.0 115.231 -169.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -88.93 -18.12 28.15 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.99 1.268 . . . . 0.0 112.555 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.08 133.84 52.5 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.225 1.41 . . . . 0.0 111.875 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.257 3.8 p -74.55 151.05 39.5 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.05 -21.95 66.73 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.4 175.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.29 -46.26 34.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.861 2.064 . . . . 0.0 113.848 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.16 -41.9 98.75 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.554 1.142 . . . . 0.0 111.773 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -49.81 -48.6 50.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.015 1.726 . . . . 0.0 111.865 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -53.01 -39.62 63.27 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 127.542 2.337 . . . . 0.0 112.476 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.33 -34.12 74.18 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 120.386 1.448 . . . . 0.0 114.378 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.79 -48.28 13.84 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.92 -50.41 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.82 0.448 . . . . 0.0 110.534 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -53.32 -53.64 48.05 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.334 0.587 . . . . 0.0 111.527 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -57.85 -29.81 65.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.585 1.154 . . . . 0.0 113.901 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -31.54 72.47 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.796 2.039 . . . . 0.0 112.729 172.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -72.53 -30.49 64.51 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.136 0.975 . . . . 0.0 111.309 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.07 -56.38 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -125.15 67.87 55.75 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -172.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -65.39 -12.61 35.7 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.353 2.035 . . . . 0.0 114.562 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -10.46 54.24 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.798 -1.189 . . . . 0.0 112.783 171.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -114.57 23.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.515 1.526 . . . . 0.0 113.425 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -38.92 -46.39 1.31 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.761 1.624 . . . . 0.0 114.179 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -40.12 79.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.5 1.92 . . . . 0.0 111.942 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.19 -29.11 21.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.883 1.273 . . . . 0.0 113.047 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -71.33 -38.88 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.03 0.932 . . . . 0.0 110.249 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.02 -44.55 94.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.014 0.526 . . . . 0.0 111.144 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.15 80.89 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.669 0.668 . . . . 0.0 112.775 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.41 -49.67 70.63 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.184 -0.947 . . . . 0.0 113.382 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.49 73.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -74.24 -43.75 55.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.785 1.234 . . . . 0.0 112.865 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.5 ttpt -57.52 -47.94 80.63 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.588 1.955 . . . . 0.0 112.412 169.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 10.9 mt -72.89 -31.77 64.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.451 0.7 . . . . 0.0 112.546 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.1 -36.23 82.91 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.507 -0.746 . . . . 0.0 110.552 166.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.4 -31.08 65.24 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.81 -22.27 61.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.624 1.17 . . . . 0.0 113.247 173.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.62 4.33 32.64 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.426 1.09 . . . . 0.0 112.704 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 C-N-CA 125.907 1.683 . . . . 0.0 112.956 169.324 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.45 152.42 43.1 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -117.02 -19.49 9.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.847 1.659 . . . . 0.0 113.501 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -145.16 154.33 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.925 1.69 . . . . 0.0 111.61 -162.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -76.77 -168.49 1.04 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -131.12 159.47 37.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.376 1.87 . . . . 0.0 109.636 165.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -60.6 -35.6 76.51 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -165.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.19 -37.4 23.68 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.612 1.096 . . . . 0.0 111.141 174.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.76 -52.68 61.82 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.929 0.892 . . . . 0.0 112.121 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -61.46 -36.5 80.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.901 0.773 . . . . 0.0 112.529 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.27 -55.32 36.41 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.769 1.228 . . . . 0.0 111.475 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.3 75.21 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.28 -50.87 17.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.773 1.229 . . . . 0.0 109.037 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.83 -48.31 59.92 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 165.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.58 -41.55 99.01 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.753 0.821 . . . . 0.0 113.154 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.72 -35.99 57.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.93 0.892 . . . . 0.0 111.285 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.25 -32.52 73.95 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.392 1.077 . . . . 0.0 112.844 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -72.85 -17.99 61.49 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.643 1.177 . . . . 0.0 113.831 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.46 119.71 78.34 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.024 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.56 -35.37 0.58 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.408 2.739 . . . . 0.0 115.373 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -81.72 0.43 38.95 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.997 1.271 . . . . 0.0 113.125 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.56 142.61 35.55 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.644 1.577 . . . . 0.0 110.565 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -86.58 159.48 19.23 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.68 -2.37 1.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.54 1.936 . . . . 0.0 113.198 170.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.29 -49.52 3.34 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.572 1.949 . . . . 0.0 113.484 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -57.51 -44.25 84.88 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.164 1.386 . . . . 0.0 111.442 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.71 -53.47 38.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.026 1.33 . . . . 0.0 111.146 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -56.24 -38.24 70.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.43 1.492 . . . . 0.0 111.39 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.02 -30.79 74.41 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 119.627 1.103 . . . . 0.0 114.748 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.99 -48.83 7.47 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.12 -49.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.043 0.838 . . . . 0.0 112.28 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -55.16 -49.15 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.878 0.847 . . . . 0.0 111.502 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -60.33 -28.28 68.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.597 1.959 . . . . 0.0 113.874 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -42.71 78.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.787 2.035 . . . . 0.0 111.524 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.91 -37.92 83.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.667 0.787 . . . . 0.0 111.12 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -66.9 -47.33 72.13 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -137.57 70.86 52.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 125.738 1.615 . . . . 0.0 115.295 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.69 -20.15 68.49 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.543 2.162 . . . . 0.0 115.228 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -58.41 -26.94 63.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.731 1.212 . . . . 0.0 113.058 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m -102.02 20.67 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.155 1.382 . . . . 0.0 112.826 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.1 m -48.15 -39.13 19.78 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.54 -40.35 74.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.506 1.922 . . . . 0.0 112.232 176.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.3 -29.05 20.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.233 1.413 . . . . 0.0 111.615 -173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -69.13 -38.47 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 0.0 110.26 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.83 -44.62 90.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.133 0.973 . . . . 0.0 111.555 170.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.01 69.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.59 -48.06 57.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 114.054 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.074 0.397 . . . . 0.0 111.292 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -63.58 -48.68 76.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.206 1.002 . . . . 0.0 111.337 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.44 -43.81 98.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.43 1.892 . . . . 0.0 112.585 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.74 -31.95 65.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.302 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.15 -37.43 87.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.288 0.949 . . . . 0.0 111.249 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.77 -26.56 64.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 114.92 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.31 63.79 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.141 -0.974 . . . . 0.0 112.478 171.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -98.31 -4.55 34.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 167.29 6.83 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 127.056 2.143 . . . . 0.0 113.304 164.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.83 170.43 2.03 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 125.189 3.926 . . . . 0.0 113.886 165.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.253 1.258 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.474 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 121.076 0.465 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.275 97.1 m-20 -82.42 46.99 1.1 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.73 -24.67 67.02 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.999 0.92 . . . . 0.0 112.361 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -114.04 138.59 50.18 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.985 1.714 . . . . 0.0 111.874 163.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -87.49 159.51 18.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -106.52 161.05 14.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.469 1.908 . . . . 0.0 110.653 172.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -57.85 -39.84 78.71 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -164.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -70.31 -43.23 70.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.609 0.64 . . . . 0.0 112.238 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -55.98 -54.69 41.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.243 1.017 . . . . 0.0 111.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.41 -34.92 78.8 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.028 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -56.76 17.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.066 1.346 . . . . 0.0 112.738 171.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.52 69.64 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -69.73 -55.85 8.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.978 1.311 . . . . 0.0 111.585 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -52.41 -47.04 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 168.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.12 -44.49 87.77 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.609 -0.682 . . . . 0.0 112.155 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.62 -35.55 73.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.963 1.305 . . . . 0.0 111.821 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.49 -28.72 70.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.947 0.899 . . . . 0.0 112.981 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -92.51 -7.53 47.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.13 123.59 89.68 Favored Pre-proline 0 CA--C 1.553 1.083 0 CA-C-N 120.003 1.274 . . . . 0.0 112.411 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -85.82 -34.52 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.651 3.568 . . . . 0.0 116.1 -167.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -84.77 -13.07 52.32 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 111.84 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.08 139.61 57.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.251 1.82 . . . . 0.0 110.932 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -76.62 153.56 35.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 166.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.2 -29.94 70.12 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -71.41 -48.37 50.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.268 1.027 . . . . 0.0 112.447 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -53.44 -42.18 66.84 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.609 1.164 . . . . 0.0 111.437 169.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -54.74 -50.63 67.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.294 1.438 . . . . 0.0 111.888 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -54.77 -41.82 70.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 110.344 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.35 11.3 1.59 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 126.659 2.076 . . . . 0.0 116.176 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -129.82 -42.07 1.29 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 1.414 . . . . 0.0 107.745 161.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -54.49 -47.48 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.383 0.992 . . . . 0.0 111.187 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.97 79.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -57.73 -34.79 69.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.264 1.425 . . . . 0.0 113.139 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.11 -40.38 78.39 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.362 1.865 . . . . 0.0 111.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -64.16 -42.54 96.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.455 0.702 . . . . 0.0 111.178 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -62.48 -37.77 87.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -143.0 68.61 18.06 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.877 1.271 . . . . 0.0 114.333 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.06 -15.01 46.83 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.181 2.587 . . . . 0.0 112.926 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -75.04 -4.91 41.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.042 1.337 . . . . 0.0 114.041 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.53 28.74 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.302 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -49.49 -35.32 19.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.319 1.048 . . . . 0.0 113.26 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -38.51 79.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.928 1.291 . . . . 0.0 111.872 176.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -88.16 -30.79 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.433 1.493 . . . . 0.0 112.445 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -70.0 -37.86 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 123.495 0.718 . . . . 0.0 110.648 169.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.23 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.308 0.643 . . . . 0.0 110.58 166.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.83 70.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.669 0.668 . . . . 0.0 112.707 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.96 -56.45 15.09 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.717 1.207 . . . . 0.0 113.143 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.77 78.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.831 0.453 . . . . 0.0 111.057 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -69.04 -46.33 68.18 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.395 1.078 . . . . 0.0 111.751 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.88 -45.86 92.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.739 1.616 . . . . 0.0 112.146 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.3 -34.37 74.59 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.983 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -65.75 -35.68 81.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.086 0.857 . . . . 0.0 111.519 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -71.5 -32.95 68.79 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.111 0.965 . . . . 0.0 112.247 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.38 -11.98 59.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.123 1.369 . . . . 0.0 114.313 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -110.52 2.89 19.07 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.897 1.279 . . . . 0.0 113.179 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 155.66 28.21 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 126.704 2.002 . . . . 0.0 112.982 165.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -67.2 159.81 50.44 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.807 3.004 . . . . 0.0 114.5 -174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 128.1 2.56 . . . . 0.0 112.72 -175.178 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.147 0.498 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -61.28 142.86 56.54 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.726 -0.609 . . . . 0.0 111.816 164.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.85 -47.0 61.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.857 -1.152 . . . . 0.0 112.555 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -89.33 129.55 35.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.112 0.965 . . . . 0.0 110.716 166.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.92 141.38 51.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -74.54 168.15 20.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.508 1.523 . . . . 0.0 110.708 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -55.28 -32.4 62.37 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 116.396 1.998 . . . . 0.0 116.396 -168.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -86.42 -40.77 15.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.215 1.406 . . . . 0.0 112.841 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.07 -50.25 74.03 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.499 1.52 . . . . 0.0 111.926 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.99 -26.36 68.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -72.59 -55.01 7.56 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.838 0.855 . . . . 0.0 111.336 170.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -35.96 75.6 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.73 -54.48 15.85 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.109 1.364 . . . . 0.0 112.004 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -39.03 60.13 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 167.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.71 -42.37 74.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.179 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.84 -30.62 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.027 1.331 . . . . 0.0 111.704 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.65 -39.99 95.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.982 0.913 . . . . 0.0 112.15 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -71.79 -15.0 62.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.85 115.86 53.7 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 119.295 0.952 . . . . 0.0 110.585 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.0 -37.9 0.51 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.634 2.223 . . . . 0.0 114.694 -166.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -79.74 -20.46 46.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 0.0 112.866 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.46 137.63 23.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.348 1.459 . . . . 0.0 110.078 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.33 2.0 p -75.26 149.65 38.78 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 173.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -66.63 -13.3 60.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.196 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -79.59 -56.44 4.3 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.696 1.599 . . . . 0.0 113.52 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -54.83 -41.38 70.62 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.194 1.397 . . . . 0.0 112.365 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -48.57 -50.21 33.32 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.842 1.257 . . . . 0.0 111.712 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.19 -30.11 66.17 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 127.199 2.2 . . . . 0.0 112.216 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 -39.73 76.9 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.092 1.315 . . . . 0.0 113.53 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -80.03 -43.44 21.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.39 -50.26 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.202 0.91 . . . . 0.0 110.248 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -53.74 -53.38 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.406 0.622 . . . . 0.0 111.434 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -55.08 -32.65 62.12 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.107 1.363 . . . . 0.0 113.72 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -43.73 71.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.337 1.855 . . . . 0.0 111.556 174.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -61.5 -35.33 77.39 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.288 0.635 . . . . 0.0 110.785 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -70.34 -49.17 52.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.59 1.156 . . . . 0.0 113.674 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -139.76 73.42 34.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.42 -12.64 36.53 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.327 2.018 . . . . 0.0 114.861 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -72.55 -11.09 60.51 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.179 1.354 . . . . 0.0 113.789 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.11 23.09 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.135 1.374 . . . . 0.0 112.954 172.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -52.48 -31.93 37.39 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.902 -1.124 . . . . 0.0 113.741 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -47.79 76.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.129 2.171 . . . . 0.0 111.604 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -78.32 -31.23 48.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.77 1.628 . . . . 0.0 111.791 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.922 0.889 . . . . 0.0 110.871 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.85 -45.74 89.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.7 0.8 . . . . 0.0 110.801 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.55 86.76 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.09 -50.99 71.03 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.425 -0.797 . . . . 0.0 112.814 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.82 83.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.841 0.456 . . . . 0.0 111.566 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -68.5 -48.6 64.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.895 0.878 . . . . 0.0 111.725 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -60.67 -43.8 97.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.399 1.879 . . . . 0.0 112.617 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.9 -30.09 66.34 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.112 0.869 . . . . 0.0 112.489 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -68.77 -35.74 77.44 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.243 -0.911 . . . . 0.0 111.618 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.87 -28.09 63.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.306 1.042 . . . . 0.0 113.395 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.25 93.72 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.156 -0.965 . . . . 0.0 111.076 170.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -99.57 2.9 45.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.126 0.97 . . . . 0.0 113.331 -168.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . . . -50.05 158.79 0.88 Allowed Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 126.582 1.953 . . . . 0.0 114.161 168.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 56' ' ' ALA . 61.0 Cg_exo -55.87 156.16 20.34 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 123.878 3.052 . . . . 0.0 114.867 -173.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt . . . . . 0 C--O 1.25 1.083 0 C-N-CA 125.778 1.631 . . . . 0.0 112.863 -175.108 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -69.95 153.79 42.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -75.11 -35.77 61.7 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.778 -0.576 . . . . 0.0 111.856 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -104.85 169.57 8.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.863 2.065 . . . . 0.0 111.593 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -72.59 155.13 40.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -84.8 158.96 20.54 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.516 1.127 . . . . 0.0 109.076 166.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -54.06 -50.34 66.97 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 120.531 1.514 . . . . 0.0 112.836 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -66.66 -27.31 67.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.683 1.593 . . . . 0.0 112.833 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -72.55 -54.51 8.99 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.346 1.058 . . . . 0.0 111.648 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -63.67 -34.63 78.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.673 0.669 . . . . 0.0 112.34 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.32 -51.5 69.68 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.264 0.483 . . . . 0.0 111.648 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.73 74.42 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -68.71 -54.84 13.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.282 1.433 . . . . 0.0 114.056 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.61 -44.09 65.8 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 166.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.97 -41.31 97.59 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.66 -34.79 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.122 1.369 . . . . 0.0 111.504 174.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.53 -35.55 80.85 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.642 1.177 . . . . 0.0 112.679 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -69.88 -18.73 63.43 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.226 1.01 . . . . 0.0 113.533 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -75.44 115.14 42.73 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.388 1.075 . . . . 0.0 111.396 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.29 -33.16 0.57 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.031 2.487 . . . . 0.0 115.542 -166.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -80.66 -20.3 43.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.155 0.889 . . . . 0.0 112.026 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.88 140.21 43.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.514 1.525 . . . . 0.0 110.298 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -81.77 149.67 28.28 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.53 -32.41 67.05 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.77 0.795 . . . . 0.0 110.471 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -67.72 -48.51 66.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.07 2.148 . . . . 0.0 113.996 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -61.28 -39.91 92.18 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.47 1.108 . . . . 0.0 112.034 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -54.78 -43.49 72.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.344 1.058 . . . . 0.0 111.842 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -50.14 -39.97 44.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.845 2.058 . . . . 0.0 112.916 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.63 -29.92 74.35 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 119.456 1.025 . . . . 0.0 114.55 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.16 -46.47 9.73 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.23 -48.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.715 0.806 . . . . 0.0 110.997 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -54.38 -54.46 40.32 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.995 0.426 . . . . 0.0 111.939 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -57.26 -31.84 65.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.345 1.058 . . . . 0.0 113.85 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -36.57 84.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.745 1.218 . . . . 0.0 112.061 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.19 -45.32 81.24 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.385 -0.822 . . . . 0.0 110.527 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -66.33 -51.98 51.78 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -125.87 63.45 47.54 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.193 1.797 . . . . 0.0 113.717 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -62.11 -18.59 62.72 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.975 2.45 . . . . 0.0 113.966 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.0 p -68.73 -6.11 24.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.818 2.047 . . . . 0.0 115.414 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.23 26.3 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.327 1.451 . . . . 0.0 112.1 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -51.89 -33.08 35.25 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.609 -1.307 . . . . 0.0 113.606 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.75 75.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.718 1.607 . . . . 0.0 112.319 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.79 -27.08 20.23 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.124 1.37 . . . . 0.0 111.233 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -73.87 -42.58 53.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.58 1.152 . . . . 0.0 110.9 170.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.26 -41.12 83.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.704 0.801 . . . . 0.0 110.941 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.49 82.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.708 . . . . 0.0 112.447 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.97 -46.47 65.15 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.283 1.033 . . . . 0.0 113.509 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.75 80.97 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.155 0.434 . . . . 0.0 110.393 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.16 -53.04 51.04 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.074 0.95 . . . . 0.0 111.99 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -29.29 69.2 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -77.78 -31.09 51.71 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.314 0.961 . . . . 0.0 113.59 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -66.54 -38.38 87.02 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.905 1.23 . . . . 0.0 110.984 167.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.72 -29.78 69.11 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.073 1.749 . . . . 0.0 114.519 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.95 55.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.53 1.132 . . . . 0.0 113.836 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -100.92 -7.75 23.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.674 1.189 . . . . 0.0 112.969 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 167.72 6.94 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.239 1.816 . . . . 0.0 112.535 165.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.8 141.04 95.59 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.89 3.06 . . . . 0.0 113.573 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.076 0.951 . . . . 0.0 113.002 174.69 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 119.108 -0.472 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -65.87 133.45 50.96 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 168.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -135.55 -5.61 2.25 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.962 2.105 . . . . 0.0 113.513 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -150.32 138.11 19.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.218 2.207 . . . . 0.0 111.754 -173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -66.11 162.92 18.6 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 -169.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -85.67 164.0 17.93 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.377 1.471 . . . . 0.0 111.42 166.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -21.53 65.24 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 -164.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -95.38 -33.05 12.65 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.814 1.188 . . . . 0.0 112.343 167.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -54.08 -53.79 48.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.759 0.709 . . . . 0.0 111.749 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.59 -33.07 70.99 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.56 0.618 . . . . 0.0 112.369 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -66.63 -60.61 2.56 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.984 1.714 . . . . 0.0 113.099 172.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.0 70.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.83 -56.41 12.04 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.684 1.594 . . . . 0.0 112.533 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -41.93 63.67 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.86 -40.33 91.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.77 1.228 . . . . 0.0 113.015 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.35 -40.62 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 119.667 1.121 . . . . 0.0 111.054 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.78 -23.72 66.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.129 0.972 . . . . 0.0 112.981 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -78.3 -10.78 59.81 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.23 127.22 69.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.214 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -87.71 -36.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.694 2.929 . . . . 0.0 115.065 -172.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -80.1 -18.63 49.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.305 -0.872 . . . . 0.0 112.0 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.5 135.25 57.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.417 1.487 . . . . 0.0 110.419 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.288 2.5 p -76.89 152.52 35.36 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 174.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.85 -24.98 60.0 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 172.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.14 -45.83 15.83 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.44 1.896 . . . . 0.0 112.102 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.38 -44.23 92.8 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.825 1.25 . . . . 0.0 112.82 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -44.65 -48.62 10.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.919 1.688 . . . . 0.0 111.393 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -55.27 -41.39 72.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.124 1.77 . . . . 0.0 113.156 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.34 72.72 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.103 -0.998 . . . . 0.0 114.456 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -90.93 -49.44 6.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.96 -49.28 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.227 1.011 . . . . 0.0 111.686 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -44.1 97.9 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -60.21 -32.56 71.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.294 1.038 . . . . 0.0 112.751 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -27.99 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.8 1.64 . . . . 0.0 113.564 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -71.55 -41.0 69.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.85 0.86 . . . . 0.0 110.831 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -70.69 -52.37 21.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.868 2.067 . . . . 0.0 115.631 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -129.64 63.89 69.72 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 126.65 1.98 . . . . 0.0 115.223 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -61.03 -13.8 29.63 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.395 2.73 . . . . 0.0 113.635 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -60.06 -17.66 41.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 113.048 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.23 26.61 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.964 1.705 . . . . 0.0 113.232 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -43.57 -41.08 4.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.763 1.225 . . . . 0.0 113.712 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -61.65 -35.08 76.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.728 2.411 . . . . 0.0 112.213 -179.072 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -86.63 -35.42 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.376 1.07 . . . . 0.0 112.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.67 -40.56 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.657 0.783 . . . . 0.0 111.174 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.98 -43.91 98.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.338 0.655 . . . . 0.0 110.833 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.98 85.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.76 -45.51 67.91 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.147 0.979 . . . . 0.0 113.192 173.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.44 75.15 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.195 0.452 . . . . 0.0 110.823 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.89 -53.18 34.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.437 1.095 . . . . 0.0 112.22 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -22.62 64.96 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.48 -28.13 31.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.983 0.913 . . . . 0.0 113.373 169.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.31 -39.55 74.73 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.218 -0.926 . . . . 0.0 111.393 167.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.09 -34.61 78.82 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.585 1.954 . . . . 0.0 109.985 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.25 -23.52 57.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -104.99 -1.62 25.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.493 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 151.67 30.1 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 126.055 1.742 . . . . 0.0 114.114 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.11 171.61 17.57 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 125.015 3.81 . . . . 0.0 113.698 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttp . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.144 1.378 . . . . 0.0 113.679 162.295 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -76.71 96.89 4.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.161 0.984 . . . . 0.0 110.695 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -106.83 -27.95 10.43 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.808 1.243 . . . . 0.0 113.861 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -154.78 140.17 17.73 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.606 1.563 . . . . 0.0 111.627 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -89.56 168.15 12.39 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -91.05 166.35 13.04 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.863 -0.523 . . . . 0.0 111.009 165.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -65.38 -12.98 57.44 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -172.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -101.1 -37.91 8.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -56.33 -51.58 67.73 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.795 0.838 . . . . 0.0 111.947 170.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.17 -25.1 65.08 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.28 -65.65 0.65 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.117 1.767 . . . . 0.0 111.696 167.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.78 68.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.73 -55.5 7.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.208 1.003 . . . . 0.0 111.009 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -52.65 -42.99 65.18 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.61 -51.01 70.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.654 1.182 . . . . 0.0 112.949 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.69 -31.27 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.793 1.237 . . . . 0.0 111.372 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 41.7 mt -62.69 -33.55 75.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.766 0.827 . . . . 0.0 113.025 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.37 -27.11 38.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -173.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.1 120.63 63.13 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 119.157 0.89 . . . . 0.0 112.408 -166.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.63 -41.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.959 2.439 . . . . 0.0 115.321 -166.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.58 -19.81 51.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.403 0.681 . . . . 0.0 111.5 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.36 133.63 56.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.375 1.87 . . . . 0.0 110.616 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -73.44 153.81 40.23 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.231 -0.293 . . . . 0.0 111.621 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -66.12 -27.12 67.81 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.283 0.563 . . . . 0.0 111.13 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -67.9 -48.78 65.07 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.162 1.785 . . . . 0.0 113.427 174.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.41 -44.29 88.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.851 1.261 . . . . 0.0 110.854 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 23.5 ttm-85 -51.39 -50.85 58.8 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.227 1.411 . . . . 0.0 111.247 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -53.05 -44.55 67.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.742 1.217 . . . . 0.0 111.595 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.33 -22.34 63.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.803 1.192 . . . . 0.0 115.875 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.49 -47.24 5.74 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.427 1.613 . . . . 0.0 106.651 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.35 -50.48 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.886 1.221 . . . . 0.0 111.809 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -53.73 -54.01 44.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.544 0.338 . . . . 0.0 111.827 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -61.61 -22.92 65.66 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -43.18 80.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 120.284 1.402 . . . . 0.0 111.651 167.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.19 -41.75 99.24 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 121.42 -0.8 . . . . 0.0 110.943 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.47 -47.84 45.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.521 1.528 . . . . 0.0 114.623 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -131.11 60.7 54.89 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.484 1.914 . . . . 0.0 115.858 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.09 -16.0 51.6 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.213 2.609 . . . . 0.0 114.477 -173.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -68.48 -14.59 63.11 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.721 -1.237 . . . . 0.0 113.547 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.51 25.5 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.451 1.1 . . . . 0.0 112.483 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.8 p -45.35 -38.26 5.65 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.766 1.227 . . . . 0.0 113.873 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -46.66 82.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.313 1.845 . . . . 0.0 110.672 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.71 -32.94 53.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.984 1.714 . . . . 0.0 112.765 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.52 -41.3 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.057 0.943 . . . . 0.0 110.252 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.55 -40.8 97.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.524 0.73 . . . . 0.0 111.433 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.46 91.18 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.259 0.936 . . . . 0.0 112.156 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.29 -44.31 65.44 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.372 1.069 . . . . 0.0 112.942 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.71 77.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.677 0.671 . . . . 0.0 111.38 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -69.04 -52.54 27.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.399 1.08 . . . . 0.0 112.443 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -29.08 69.82 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.729 1.15 . . . . 0.0 113.633 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -29.91 44.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.748 1.158 . . . . 0.0 113.215 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -69.65 -45.87 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.929 1.241 . . . . 0.0 111.002 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.1 -21.43 56.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.33 -40.51 70.69 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.968 -0.457 . . . . 0.0 111.948 164.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -81.92 -3.71 54.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.879 0.872 . . . . 0.0 113.197 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.47 97.95 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.909 1.683 . . . . 0.0 111.75 162.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -62.86 145.95 94.81 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 124.163 3.242 . . . . 0.0 113.18 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt . . . . . 0 C--O 1.255 1.362 0 C-N-CA 126.488 1.915 . . . . 0.0 113.209 -171.644 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.862 0.363 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.53 165.51 16.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -71.69 -7.35 47.47 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -83.67 161.02 21.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.038 1.335 . . . . 0.0 113.149 174.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -141.35 173.83 11.12 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -83.9 164.01 19.69 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 110.22 163.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -56.2 -56.23 23.51 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.868 1.267 . . . . 0.0 114.395 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.67 -35.21 80.28 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.326 1.05 . . . . 0.0 111.814 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -61.96 -53.52 54.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.457 0.571 . . . . 0.0 112.176 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -66.19 -33.12 75.04 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.322 0.965 . . . . 0.0 112.604 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.82 -55.45 32.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.134 0.974 . . . . 0.0 112.648 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.54 73.37 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.77 -55.29 13.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.192 1.797 . . . . 0.0 113.469 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.32 -43.84 64.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 166.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -66.44 -38.78 88.16 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.68 -40.94 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.379 1.072 . . . . 0.0 110.76 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.51 -22.98 67.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.766 1.226 . . . . 0.0 113.815 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -20.83 60.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.23 119.47 76.54 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.069 0.947 . . . . 0.0 112.043 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.72 -36.58 0.58 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.72 2.947 . . . . 0.0 114.907 -167.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.46 -21.24 28.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.075 0.95 . . . . 0.0 111.161 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.07 135.82 57.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.847 2.059 . . . . 0.0 111.237 173.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -80.96 152.9 27.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -53.74 -37.01 62.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.48 0.712 . . . . 0.0 110.881 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.81 -50.13 58.48 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.226 1.01 . . . . 0.0 112.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.13 -43.62 78.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.245 1.018 . . . . 0.0 111.933 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -53.64 -48.61 69.22 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.519 1.128 . . . . 0.0 111.852 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -55.63 -37.23 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.624 1.57 . . . . 0.0 111.28 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.57 -19.83 75.05 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 119.944 1.247 . . . . 0.0 115.805 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.19 -47.37 6.67 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.24 -48.25 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.278 0.945 . . . . 0.0 111.372 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -53.92 -51.73 62.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.118 0.961 . . . . 0.0 111.846 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 m -58.47 -31.24 67.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.811 1.644 . . . . 0.0 113.436 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -31.02 71.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.718 1.607 . . . . 0.0 112.228 172.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -72.27 -39.18 68.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.234 1.014 . . . . 0.0 111.666 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -68.69 -60.35 2.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.995 1.318 . . . . 0.0 113.527 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -123.23 62.49 21.17 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -170.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -66.06 -7.6 17.55 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.64 2.226 . . . . 0.0 113.703 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -63.53 -11.17 22.06 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.362 1.465 . . . . 0.0 114.527 163.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -121.66 24.72 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.863 1.665 . . . . 0.0 112.436 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -40.18 -45.16 1.98 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.605 1.562 . . . . 0.0 114.424 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.33 -44.05 79.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.938 2.895 . . . . 0.0 111.233 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.27 -31.06 25.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.444 1.497 . . . . 0.0 112.076 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -69.2 -40.04 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.488 0.715 . . . . 0.0 110.493 173.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 -43.42 84.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.425 0.69 . . . . 0.0 110.691 166.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.2 86.29 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.172 0.589 . . . . 0.0 112.571 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.65 -43.03 77.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.516 1.053 . . . . 0.0 113.518 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.03 85.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.871 0.305 . . . . 0.0 110.894 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -66.55 -52.31 47.09 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.271 1.028 . . . . 0.0 112.485 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -26.36 66.77 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.86 -35.18 57.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.197 0.908 . . . . 0.0 112.578 168.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.4 -37.29 86.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.522 1.056 . . . . 0.0 111.616 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.38 -35.0 78.45 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.492 1.117 . . . . 0.0 111.154 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.37 -32.91 72.25 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.35 -2.42 56.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.055 1.342 . . . . 0.0 113.378 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.73 154.65 91.23 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.989 1.315 . . . . 0.0 112.718 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.49 167.43 26.39 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.389 3.393 . . . . 0.0 112.288 167.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 123.591 0.756 . . . . 0.0 112.774 170.17 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.19 140.67 52.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -139.18 -3.22 1.58 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.796 1.638 . . . . 0.0 114.487 163.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -162.1 137.07 7.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.028 1.731 . . . . 0.0 111.128 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 31.2 m-85 -74.93 167.97 20.86 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -89.08 162.1 16.17 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.586 1.554 . . . . 0.0 111.256 164.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -60.94 -47.87 84.42 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -170.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.81 -37.25 70.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.433 0.693 . . . . 0.0 112.164 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -53.75 -57.11 12.03 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.835 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -57.64 -36.08 71.37 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.909 0.777 . . . . 0.0 113.027 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.42 -59.62 4.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.229 1.412 . . . . 0.0 113.449 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.65 70.04 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.91 -56.52 7.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.619 1.968 . . . . 0.0 113.018 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -41.43 62.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.89 -37.01 83.58 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.3 mt -68.25 -39.03 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 111.374 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.88 -22.35 66.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.845 1.258 . . . . 0.0 113.631 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -73.65 -27.55 61.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.42 1.488 . . . . 0.0 113.998 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.13 125.52 87.82 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.097 0.959 . . . . 0.0 112.633 -163.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -81.9 -34.72 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.688 2.925 . . . . 0.0 115.275 -171.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -84.67 -18.33 35.68 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.596 1.089 . . . . 0.0 112.653 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.22 137.79 58.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.685 1.594 . . . . 0.0 111.063 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 p -85.7 154.55 21.57 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -63.45 -21.38 66.27 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -70.77 -51.11 29.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.598 -1.314 . . . . 0.0 113.669 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -60.34 -48.84 80.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.669 1.188 . . . . 0.0 112.002 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -49.65 -55.85 12.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.627 1.571 . . . . 0.0 111.644 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -29.98 44.81 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.624 1.97 . . . . 0.0 113.072 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.26 -41.73 37.45 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.472 1.033 . . . . 0.0 113.845 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.56 -43.49 38.75 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 mt -56.41 -48.06 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 110.419 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -53.47 -54.05 42.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 120.943 0.401 . . . . 0.0 111.596 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -58.24 -29.88 66.09 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.84 -29.12 66.3 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.516 1.053 . . . . 0.0 113.449 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.93 -42.24 73.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.328 0.651 . . . . 0.0 110.809 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.86 -47.6 37.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.768 1.627 . . . . 0.0 114.111 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -133.02 61.61 57.05 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 127.192 2.197 . . . . 0.0 114.714 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -58.47 -16.7 30.61 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.362 2.708 . . . . 0.0 113.796 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -57.05 -30.69 64.47 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.218 1.407 . . . . 0.0 113.385 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.88 23.26 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.549 1.14 . . . . 0.0 112.818 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -46.28 -37.09 6.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.98 -38.44 76.09 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.21 2.204 . . . . 0.0 112.168 175.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -85.35 -33.97 21.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.648 1.179 . . . . 0.0 111.798 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -67.61 -41.95 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.098 -1.001 . . . . 0.0 111.083 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.94 -47.36 85.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.227 0.467 . . . . 0.0 110.307 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.87 77.3 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.18 -48.98 66.31 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.273 1.029 . . . . 0.0 113.657 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.12 85.66 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.199 0.524 . . . . 0.0 111.514 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.67 -45.85 64.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.275 1.03 . . . . 0.0 111.737 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.24 -50.26 73.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.131 1.772 . . . . 0.0 112.117 170.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.56 -24.76 61.98 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.031 0.832 . . . . 0.0 112.657 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -69.32 -34.62 74.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.14 0.882 . . . . 0.0 111.37 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.76 -32.55 62.09 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.946 0.879 . . . . 0.0 112.643 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.15 69.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.132 0.973 . . . . 0.0 112.13 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -100.21 1.96 42.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.945 1.298 . . . . 0.0 113.218 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.97 169.37 6.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 126.77 2.028 . . . . 0.0 112.064 164.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -59.13 161.94 15.05 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.153 3.235 . . . . 0.0 114.194 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp . . . . . 0 C--O 1.256 1.41 0 CA-C-O 116.093 -1.908 . . . . 0.0 113.891 -178.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 119.783 -0.151 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -90.47 148.56 22.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.014 1.326 . . . . 0.0 113.427 168.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -124.81 -21.74 4.69 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 151.61 26.97 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.03 1.732 . . . . 0.0 112.134 168.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -62.07 157.92 17.8 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -81.63 158.25 24.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.285 0.634 . . . . 0.0 109.904 167.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.19 -40.92 97.67 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.779 1.172 . . . . 0.0 112.678 -174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -68.56 -34.29 75.57 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.852 1.261 . . . . 0.0 112.812 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -64.34 -58.61 6.0 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.975 0.91 . . . . 0.0 111.413 171.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.89 -36.27 76.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.509 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -58.16 -57.91 10.78 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 172.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -25.67 67.35 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -73.33 -56.63 4.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.798 1.639 . . . . 0.0 112.528 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -39.57 71.65 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.66 -45.82 92.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.859 0.864 . . . . 0.0 112.621 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.51 -37.31 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.966 1.307 . . . . 0.0 111.291 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.64 -19.54 40.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.329 1.052 . . . . 0.0 113.491 172.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -98.9 -7.83 26.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.37 124.98 91.62 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 120.413 1.461 . . . . 0.0 111.059 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -87.99 -30.56 0.25 Allowed 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.078 2.519 . . . . 0.0 115.75 -165.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -85.74 -22.26 27.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.842 -1.161 . . . . 0.0 111.402 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.02 133.86 55.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.06 2.144 . . . . 0.0 111.596 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -78.26 154.44 30.98 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -26.68 63.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.252 1.021 . . . . 0.0 112.874 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -74.7 -47.54 30.92 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.377 1.871 . . . . 0.0 113.731 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 124.479 1.112 . . . . 0.0 111.493 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -43.84 -57.85 3.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.943 2.097 . . . . 0.0 111.818 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.2 -45.64 23.31 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.803 1.641 . . . . 0.0 112.786 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.33 86.96 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-N 119.667 1.121 . . . . 0.0 113.912 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -82.03 -48.82 10.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.4 mt -57.02 -52.93 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.058 0.943 . . . . 0.0 112.256 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -52.51 -50.62 62.42 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.596 0.712 . . . . 0.0 111.426 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.6 m -61.11 -26.52 67.73 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.253 1.421 . . . . 0.0 114.228 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.13 -32.38 61.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.817 2.047 . . . . 0.0 112.902 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -68.41 -34.74 76.54 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.982 -0.449 . . . . 0.0 110.57 170.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.31 -64.43 0.86 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -121.3 69.29 20.7 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.077 1.751 . . . . 0.0 113.393 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -64.71 -8.84 18.74 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.858 2.372 . . . . 0.0 113.875 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -62.47 -35.3 78.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.744 1.617 . . . . 0.0 113.079 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -97.16 24.34 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.711 1.604 . . . . 0.0 112.364 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.3 p -30.32 -48.88 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.786 2.435 . . . . 0.0 114.165 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.85 -41.05 99.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.764 2.026 . . . . 0.0 111.738 -178.225 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.04 -31.18 23.57 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.499 1.12 . . . . 0.0 111.998 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.27 -42.64 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.694 0.797 . . . . 0.0 109.947 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.23 -44.18 97.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.546 0.739 . . . . 0.0 111.457 170.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.01 74.7 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.15 0.886 . . . . 0.0 113.196 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.2 -51.32 54.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.37 1.068 . . . . 0.0 112.573 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.8 75.24 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 117.945 0.339 . . . . 0.0 111.618 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.49 -51.69 54.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.343 1.057 . . . . 0.0 111.406 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -60.63 -41.06 94.15 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.749 1.219 . . . . 0.0 113.03 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.09 -27.8 60.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.985 0.514 . . . . 0.0 112.337 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.09 -35.81 76.9 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.091 -1.006 . . . . 0.0 111.073 166.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -38.45 90.61 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.191 1.397 . . . . 0.0 114.113 173.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.1 65.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.772 1.629 . . . . 0.0 113.169 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -112.72 -6.63 13.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.461 1.104 . . . . 0.0 111.93 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 147.85 94.37 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 126.415 1.886 . . . . 0.0 112.843 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.34 150.14 81.02 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.647 3.565 . . . . 0.0 112.941 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.949 1.7 . . . . 0.0 112.686 174.68 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.363 91.6 m-20 56.77 26.69 11.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.11 -37.2 84.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.243 1.417 . . . . 0.0 113.812 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.86 149.97 36.09 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.239 1.016 . . . . 0.0 113.55 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.53 168.65 19.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.148 2.179 . . . . 0.0 116.506 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -88.42 166.8 13.99 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.281 1.033 . . . . 0.0 111.559 167.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.73 -40.64 93.12 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.17 -37.69 72.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.108 0.963 . . . . 0.0 111.853 174.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.79 -52.6 49.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.535 1.134 . . . . 0.0 112.409 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.31 -27.99 69.0 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -66.98 -50.92 60.75 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.763 1.225 . . . . 0.0 112.747 168.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.75 72.81 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.153 0.888 . . . . 0.0 112.833 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -70.68 -52.35 21.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.392 1.477 . . . . 0.0 109.889 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -49.57 -44.78 47.13 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 166.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -69.69 -40.43 76.37 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.894 1.278 . . . . 0.0 113.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.79 -39.69 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.759 1.224 . . . . 0.0 110.878 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.84 -26.89 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.409 1.083 . . . . 0.0 112.922 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -21.94 61.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.7 114.63 38.42 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 119.982 1.264 . . . . 0.0 111.478 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.63 -29.66 0.74 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.25 2.633 . . . . 0.0 114.482 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.83 -11.02 59.85 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.416 -0.803 . . . . 0.0 111.028 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.31 130.26 39.35 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.986 1.714 . . . . 0.0 110.645 172.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 p -79.37 156.71 27.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.363 0.665 . . . . 0.0 112.784 168.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.37 -33.34 72.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 111.361 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -69.13 -31.99 71.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.424 1.49 . . . . 0.0 114.623 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.42 -43.69 31.7 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.1 1.36 . . . . 0.0 111.308 170.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -51.02 -49.08 61.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.932 2.093 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -45.14 -45.94 11.61 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.398 1.879 . . . . 0.0 113.912 172.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.97 72.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-N 119.29 0.95 . . . . 0.0 114.079 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.12 -49.39 6.78 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -56.59 -50.99 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.58 1.082 . . . . 0.0 111.576 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.93 -47.6 84.47 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.304 0.574 . . . . 0.0 111.687 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.8 m -55.99 -33.91 65.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.764 1.626 . . . . 0.0 113.724 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -41.09 87.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.373 1.869 . . . . 0.0 111.912 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -65.56 -34.47 78.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.603 -0.685 . . . . 0.0 111.455 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -75.5 -46.04 34.68 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.911 1.284 . . . . 0.0 113.546 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -141.1 77.42 20.48 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.788 1.635 . . . . 0.0 115.138 -174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.99 -9.65 26.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.926 2.417 . . . . 0.0 114.482 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -64.24 -15.3 59.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.867 1.267 . . . . 0.0 114.32 173.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.54 23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.211 1.404 . . . . 0.0 110.777 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -51.86 -34.87 42.81 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.277 1.399 . . . . 0.0 113.793 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.04 82.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.376 1.07 . . . . 0.0 111.976 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.63 -35.87 57.79 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.94 1.696 . . . . 0.0 110.536 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.14 -41.66 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.973 1.309 . . . . 0.0 110.414 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.21 -44.49 95.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.493 0.717 . . . . 0.0 110.673 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.9 83.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.014 0.526 . . . . 0.0 112.238 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.31 -43.45 81.65 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.1 -1.0 . . . . 0.0 113.652 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.765 0.317 . . . . 0.0 111.146 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.24 -44.32 72.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.383 1.073 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.94 -45.08 93.77 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 127.557 2.343 . . . . 0.0 112.464 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.62 -33.73 64.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.049 0.539 . . . . 0.0 112.133 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.71 -33.73 75.7 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.988 0.813 . . . . 0.0 111.088 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.13 -35.99 74.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.89 62.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.882 1.273 . . . . 0.0 113.308 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -106.97 0.03 23.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.396 1.078 . . . . 0.0 112.726 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 151.45 85.45 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.218 1.407 . . . . 0.0 112.773 168.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.18 154.44 72.34 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 124.108 3.205 . . . . 0.0 112.033 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.042 2.137 . . . . 0.0 112.266 177.09 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -73.84 137.09 43.56 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.167 -0.958 . . . . 0.0 112.213 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.46 4.92 37.62 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.613 1.565 . . . . 0.0 113.568 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -145.37 159.57 42.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.398 1.079 . . . . 0.0 113.715 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -95.91 173.17 7.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.264 1.826 . . . . 0.0 115.809 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -98.03 168.28 10.38 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.355 1.062 . . . . 0.0 109.997 162.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.03 -41.76 97.32 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -170.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.0 -32.77 57.41 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.164 0.893 . . . . 0.0 112.162 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -53.84 -58.18 8.2 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.592 -0.692 . . . . 0.0 111.708 164.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -64.36 -25.4 68.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.633 1.106 . . . . 0.0 113.958 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -61.72 -69.48 0.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.913 1.285 . . . . 0.0 112.055 164.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -60.8 -23.86 65.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -176.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.57 -58.21 3.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.974 1.71 . . . . 0.0 111.209 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.03 -44.36 64.18 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 170.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.67 -47.04 82.84 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.821 0.848 . . . . 0.0 112.401 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.17 -36.58 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.427 0.558 . . . . 0.0 110.93 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.78 -23.13 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 170.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.29 -28.75 18.57 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.75 121.11 32.21 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.53 1.132 . . . . 0.0 112.885 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.15 -35.9 3.72 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.425 2.75 . . . . 0.0 115.915 -160.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -87.64 -5.34 58.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.704 1.202 . . . . 0.0 112.032 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.34 134.8 39.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.557 1.543 . . . . 0.0 110.404 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 p -74.26 154.8 38.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.181 0.515 . . . . 0.0 112.018 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.46 -29.49 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.224 -0.298 . . . . 0.0 111.615 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -68.02 -55.31 13.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.213 1.405 . . . . 0.0 113.667 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -55.0 -42.77 72.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.183 0.993 . . . . 0.0 111.507 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -42.66 -52.19 4.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.489 1.516 . . . . 0.0 112.31 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -55.06 -42.58 72.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.214 0.915 . . . . 0.0 112.585 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.36 -6.65 49.15 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -111.18 -47.55 3.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 168.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.7 -48.43 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.89 1.276 . . . . 0.0 111.069 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -58.6 -51.92 67.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.085 0.469 . . . . 0.0 111.748 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 m -54.69 -32.62 59.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.622 1.169 . . . . 0.0 113.334 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 12' ' ' ALA . 15.2 tp -69.77 -31.97 70.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.535 1.134 . . . . 0.0 113.803 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.85 -35.92 81.15 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.835 -0.54 . . . . 0.0 110.477 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.31 -45.5 14.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.137 1.375 . . . . 0.0 113.967 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -133.14 59.2 40.38 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.244 1.818 . . . . 0.0 113.494 -169.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -59.27 -18.55 45.59 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.33 3.354 . . . . 0.0 114.6 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -64.44 -19.7 65.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.635 1.561 . . . . 0.0 113.101 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -101.39 23.47 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.878 -1.139 . . . . 0.0 111.9 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -46.5 -41.57 14.29 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.896 -1.127 . . . . 0.0 113.661 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.94 -36.7 82.17 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.609 2.364 . . . . 0.0 111.977 179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.2 -36.27 24.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.661 1.585 . . . . 0.0 111.049 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.16 -38.94 72.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.382 1.473 . . . . 0.0 110.517 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.01 -48.88 79.87 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.933 0.893 . . . . 0.0 110.219 167.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.06 -40.75 81.81 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.63 -47.8 79.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.4 87.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.892 0.477 . . . . 0.0 111.64 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.06 -45.19 67.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.813 1.245 . . . . 0.0 111.953 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.75 -47.73 84.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 172.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.44 -29.96 67.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.188 0.904 . . . . 0.0 112.094 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.52 -38.19 88.95 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.233 -0.917 . . . . 0.0 111.295 167.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -35.02 74.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.64 61.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.382 1.473 . . . . 0.0 113.216 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -115.33 3.92 14.3 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.233 1.413 . . . . 0.0 112.066 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.71 92.43 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.769 1.628 . . . . 0.0 111.529 163.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.35 146.32 85.49 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 124.628 3.552 . . . . 0.0 112.953 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.842 1.657 . . . . 0.0 113.009 175.756 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.667 0.27 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.269 0.6 OUTLIER -141.7 7.46 1.89 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 -175.345 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -78.02 -30.81 50.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.967 0.907 . . . . 0.0 112.521 173.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -122.87 112.57 18.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.99 2.516 . . . . 0.0 109.285 161.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -69.17 154.82 41.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -69.75 164.76 22.83 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.495 1.518 . . . . 0.0 111.153 165.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.29 -45.28 93.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.33 0.968 . . . . 0.0 112.972 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -68.54 -38.06 80.51 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.382 -0.824 . . . . 0.0 113.081 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.09 -54.15 42.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.504 -0.748 . . . . 0.0 112.249 174.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -32.39 73.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.335 0.654 . . . . 0.0 111.741 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.19 -57.93 8.9 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.177 1.391 . . . . 0.0 112.07 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -31.41 66.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -68.37 -57.88 5.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.609 1.564 . . . . 0.0 113.302 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -44.81 27.54 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 166.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -64.21 -44.09 93.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.421 1.088 . . . . 0.0 113.23 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.44 -30.79 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.704 1.202 . . . . 0.0 111.935 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.34 -32.86 74.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.15 0.98 . . . . 0.0 112.534 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.19 -24.68 57.86 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.86 119.5 69.88 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.225 1.01 . . . . 0.0 112.314 -168.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.89 -35.28 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.953 2.435 . . . . 0.0 114.979 -166.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -78.86 -22.3 46.24 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.212 0.914 . . . . 0.0 112.528 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.05 141.1 51.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.126 2.171 . . . . 0.0 111.273 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -91.01 160.01 15.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 173.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.53 -33.79 74.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.805 0.812 . . . . 0.0 111.816 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.21 -43.34 98.41 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.079 1.351 . . . . 0.0 112.823 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.71 -49.77 64.97 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 111.785 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -51.82 -54.19 31.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.162 1.785 . . . . 0.0 111.337 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -37.34 74.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.211 1.404 . . . . 0.0 111.392 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.82 96.9 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.056 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -82.71 -47.27 12.18 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.204 1.502 . . . . 0.0 107.271 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.42 -51.67 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.579 0.752 . . . . 0.0 111.365 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -59.76 -46.16 90.03 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 122.035 0.922 . . . . 0.0 111.092 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -57.48 -30.91 65.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.181 1.393 . . . . 0.0 114.018 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.53 82.43 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.065 1.346 . . . . 0.0 111.513 172.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.91 -44.14 66.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.026 0.93 . . . . 0.0 110.991 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -64.84 -44.1 90.9 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -136.79 64.09 48.63 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 114.494 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.0 -14.02 40.94 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.242 1.961 . . . . 0.0 113.364 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.9 p -54.13 -26.39 27.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.512 1.125 . . . . 0.0 113.309 169.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.3 23.61 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.413 1.485 . . . . 0.0 112.309 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -42.25 -44.9 3.98 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.999 1.319 . . . . 0.0 113.758 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.79 -36.24 80.51 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.043 2.537 . . . . 0.0 112.241 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -88.51 -33.79 17.65 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.838 1.255 . . . . 0.0 111.381 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.58 -37.96 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.382 1.073 . . . . 0.0 110.581 175.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.64 -46.68 86.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.3 0.64 . . . . 0.0 110.884 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.26 72.35 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.71 -55.09 16.67 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.703 1.601 . . . . 0.0 113.48 169.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.24 75.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.669 0.388 . . . . 0.0 111.968 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -68.72 -50.67 48.89 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.098 0.959 . . . . 0.0 111.517 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -46.1 77.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.059 1.344 . . . . 0.0 112.251 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.98 -26.79 63.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.078 -1.014 . . . . 0.0 113.538 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.41 -38.71 71.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.547 1.067 . . . . 0.0 111.085 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.64 -35.09 74.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.19 66.72 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 112.337 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -99.53 -13.61 19.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.719 1.208 . . . . 0.0 112.642 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.74 152.82 34.51 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.134 1.374 . . . . 0.0 112.543 169.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.2 133.36 24.58 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.719 2.946 . . . . 0.0 111.422 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? . . . . . 0 C--O 1.254 1.293 0 CA-C-O 117.105 -1.426 . . . . 0.0 113.232 -173.085 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 120.589 0.233 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -96.68 81.62 3.21 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -81.46 -26.43 35.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -168.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 tttp 54.05 60.8 3.39 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.525 1.93 . . . . 0.0 113.481 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -147.26 169.22 19.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -82.19 172.07 13.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.334 1.054 . . . . 0.0 111.098 162.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.16 -50.54 72.52 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.936 1.295 . . . . 0.0 114.336 -167.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -77.12 -34.18 56.73 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.658 0.783 . . . . 0.0 112.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.99 -51.22 71.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.688 0.395 . . . . 0.0 111.159 172.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.86 -31.96 73.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.085 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -59.07 -63.17 1.4 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.681 1.192 . . . . 0.0 111.309 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.29 71.24 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.03 -55.5 14.14 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.475 1.11 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -51.78 -45.97 63.98 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 167.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.5 -37.74 88.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.252 1.421 . . . . 0.0 113.318 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.6 mt -69.52 -44.11 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.482 1.113 . . . . 0.0 111.048 172.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.8 -18.1 64.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.137 1.375 . . . . 0.0 114.123 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -79.63 -21.82 44.37 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.558 1.543 . . . . 0.0 113.562 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.89 112.79 22.01 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 119.655 1.116 . . . . 0.0 111.221 -170.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.76 -30.79 5.8 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.964 2.442 . . . . 0.0 114.108 -165.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -84.25 -11.12 57.0 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.043 -1.036 . . . . 0.0 112.661 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.12 135.37 50.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.41 1.484 . . . . 0.0 111.46 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.254 3.8 p -73.44 151.94 40.94 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -67.63 -20.78 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.317 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.25 -47.89 25.96 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.743 1.617 . . . . 0.0 113.492 167.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.2 -42.1 90.13 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.701 1.2 . . . . 0.0 111.843 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -49.75 -52.47 31.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.702 1.601 . . . . 0.0 111.602 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -57.52 -33.0 67.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.331 1.852 . . . . 0.0 112.368 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.16 -45.22 88.24 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 125.391 1.472 . . . . 0.0 113.123 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.77 -47.2 9.97 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.13 -47.74 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.126 0.875 . . . . 0.0 111.839 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -46.21 88.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -65.05 -26.03 68.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -41.14 97.53 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.978 1.311 . . . . 0.0 112.06 169.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.24 -41.25 94.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.77 0.828 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -64.35 -53.27 51.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -131.45 65.46 76.22 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 115.603 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -60.9 -15.92 41.55 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.195 2.597 . . . . 0.0 115.255 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 m -62.48 -21.69 65.67 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.5 1.12 . . . . 0.0 113.657 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -109.16 23.66 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 113.078 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -41.3 -41.82 2.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.146 1.378 . . . . 0.0 114.567 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.13 -37.19 84.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.335 2.654 . . . . 0.0 112.506 -179.352 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -80.23 -38.67 30.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.841 0.856 . . . . 0.0 111.978 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.19 -39.97 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 110.517 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.74 -43.77 98.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.716 171.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.99 81.02 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.35 -47.48 73.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 113.22 172.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.45 85.97 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.084 0.402 . . . . 0.0 111.06 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.81 -45.38 78.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.236 1.014 . . . . 0.0 111.686 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -60.56 -46.89 88.53 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.902 1.681 . . . . 0.0 112.905 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.78 -22.65 60.8 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.544 -0.723 . . . . 0.0 112.835 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.51 -36.81 76.8 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.68 -0.637 . . . . 0.0 111.263 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.55 -29.59 68.18 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.45 65.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 113.535 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -116.44 -9.48 11.45 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 112.345 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.04 49.5 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.875 2.07 . . . . 0.0 113.504 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.84 162.62 12.79 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 124.935 3.756 . . . . 0.0 114.943 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.7 mttm . . . . . 0 C--O 1.251 1.169 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.472 0.674 0 CA-C-O 121.042 0.449 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.61 85.2 3.95 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.172 1.389 . . . . 0.0 113.227 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -79.38 -7.75 58.6 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -157.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -140.55 145.94 37.43 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.055 1.342 . . . . 0.0 112.528 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.17 163.28 25.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -88.57 163.14 16.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.198 1.399 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -38.65 81.88 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -167.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.88 -31.82 27.69 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.45 -0.781 . . . . 0.0 112.762 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.13 -55.21 37.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.765 -0.584 . . . . 0.0 111.719 170.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.47 -28.5 69.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.737 0.415 . . . . 0.0 111.959 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.56 -67.85 0.32 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.056 1.342 . . . . 0.0 112.085 164.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.46 64.14 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.17 -58.93 3.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.613 1.565 . . . . 0.0 112.538 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.02 -43.94 63.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -59.2 -41.85 89.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.892 0.877 . . . . 0.0 112.827 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.6 -28.31 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.623 1.169 . . . . 0.0 111.911 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.72 -20.33 61.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.131 . . . . 0.0 113.473 167.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -85.29 -15.2 44.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.878 1.271 . . . . 0.0 113.203 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.77 121.28 80.68 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 120.637 1.562 . . . . 0.0 111.644 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.56 -31.28 2.07 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.405 2.736 . . . . 0.0 114.67 -167.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -88.7 -28.18 20.73 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.022 0.828 . . . . 0.0 112.712 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.01 139.03 53.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.205 1.802 . . . . 0.0 112.211 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 p -80.45 153.72 28.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.11 -28.22 67.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.002 1.321 . . . . 0.0 111.976 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.88 -50.14 25.64 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.751 1.62 . . . . 0.0 112.747 171.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.6 -41.94 91.48 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.026 0.93 . . . . 0.0 112.049 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -49.63 -46.08 49.05 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.272 1.429 . . . . 0.0 111.708 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -54.64 -40.84 69.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 112.985 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.75 -21.81 71.4 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.098 -0.834 . . . . 0.0 114.685 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -96.87 -47.17 5.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 173.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.43 -47.81 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.246 1.018 . . . . 0.0 112.244 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -52.75 -51.98 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.249 0.547 . . . . 0.0 111.794 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -28.87 69.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.33 -26.87 66.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.772 1.169 . . . . 0.0 113.355 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -72.34 -42.91 64.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.288 0.635 . . . . 0.0 110.483 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -73.97 -49.27 25.26 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.339 2.256 . . . . 0.0 116.191 -176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -125.51 63.34 44.31 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 128.466 2.706 . . . . 0.0 114.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -57.91 -20.1 42.84 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.336 2.69 . . . . 0.0 114.186 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -69.04 -18.47 64.03 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.933 -1.104 . . . . 0.0 113.591 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.26 10.7 m -101.09 26.53 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.594 1.158 . . . . 0.0 112.719 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -37.32 -42.98 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.18 1.792 . . . . 0.0 114.33 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.85 87.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.087 1.755 . . . . 0.0 111.76 -177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.45 -36.56 38.66 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.449 1.5 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.93 -42.36 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.484 1.114 . . . . 0.0 110.237 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.08 -49.84 74.36 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.056 0.942 . . . . 0.0 111.351 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.81 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.852 0.861 . . . . 0.0 113.063 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.52 -46.97 58.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.32 84.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.199 0.454 . . . . 0.0 111.287 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -46.37 72.92 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.852 1.261 . . . . 0.0 111.954 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.97 -47.02 87.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 112.511 174.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.43 -27.06 62.09 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -70.58 -35.14 72.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.114 0.87 . . . . 0.0 111.384 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.47 -34.67 78.46 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.11 77.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.342 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -91.87 0.71 57.47 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.045 0.938 . . . . 0.0 113.012 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 156.71 64.93 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.4 1.88 . . . . 0.0 111.422 163.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.6 172.27 14.68 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.77 2.98 . . . . 0.0 112.126 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 C--O 1.251 1.152 0 C-N-CA 123.652 0.781 . . . . 0.0 111.574 161.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.93 147.17 24.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.52 -49.06 62.4 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 112.744 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -62.02 130.59 46.25 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.464 1.029 . . . . 0.0 110.69 172.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 19.1 m-85 -58.61 154.31 14.59 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -170.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -72.39 160.32 32.54 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.433 1.093 . . . . 0.0 110.881 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.25 -32.53 74.25 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -76.37 -44.17 37.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.804 1.183 . . . . 0.0 111.857 167.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -52.25 -53.84 38.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.47 0.708 . . . . 0.0 112.491 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.95 -38.85 87.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.354 0.525 . . . . 0.0 112.156 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.63 -47.26 73.16 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.089 1.356 . . . . 0.0 112.576 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 45' ' ' LEU . . . -66.43 -28.89 68.96 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.016 0.913 . . . . 0.0 112.363 178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -72.23 -53.55 12.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 112.04 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -48.2 -45.9 34.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 166.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.76 -36.73 67.64 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.795 1.238 . . . . 0.0 112.848 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -79.1 -40.58 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 110.854 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.22 -24.5 67.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.481 1.112 . . . . 0.0 113.961 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -97.09 2.94 51.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.59 124.39 87.82 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.592 1.087 . . . . 0.0 111.236 174.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.53 -33.95 0.84 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.064 2.51 . . . . 0.0 115.35 -168.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -87.49 -21.33 25.55 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.237 0.926 . . . . 0.0 112.438 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 134.41 56.97 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.584 1.554 . . . . 0.0 111.884 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -78.82 159.31 27.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -54.86 -37.57 66.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.135 0.574 . . . . 0.0 111.09 172.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.37 -43.89 38.8 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.821 1.248 . . . . 0.0 112.581 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.23 -45.01 92.3 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.134 0.974 . . . . 0.0 112.043 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -50.59 -46.91 58.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.186 1.395 . . . . 0.0 111.38 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -49.02 -44.89 41.82 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.362 1.865 . . . . 0.0 113.518 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.08 -26.75 74.44 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-N 119.338 0.972 . . . . 0.0 113.823 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.71 -49.12 7.34 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -53.39 -53.67 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.338 1.055 . . . . 0.0 111.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -45.13 94.56 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.045 -0.409 . . . . 0.0 110.794 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -60.45 -32.0 70.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 tp -64.68 -34.78 79.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.343 1.057 . . . . 0.0 112.604 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.04 -38.72 82.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.504 0.722 . . . . 0.0 111.456 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.25 -46.37 56.26 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -132.22 71.32 79.76 Favored Pre-proline 0 CA--C 1.549 0.94 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -65.06 -14.32 44.58 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.4 2.067 . . . . 0.0 113.401 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -64.25 -22.96 67.13 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.306 1.442 . . . . 0.0 112.984 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -106.57 27.37 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.646 1.578 . . . . 0.0 112.679 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.2 p -42.12 -41.0 2.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.803 1.241 . . . . 0.0 113.664 175.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.11 -43.13 82.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.785 2.034 . . . . 0.0 111.552 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.67 -36.7 51.01 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.407 1.083 . . . . 0.0 112.704 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -70.23 -39.09 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.536 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 12' ' ' ALA . 6.0 mp -59.56 -48.58 81.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.161 0.985 . . . . 0.0 110.256 168.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.81 80.85 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.527 0.603 . . . . 0.0 112.517 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.6 -49.87 55.97 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.08 -39.04 77.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.433 0.635 . . . . 0.0 110.748 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -73.59 -41.93 62.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.027 1.331 . . . . 0.0 112.981 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.71 -47.88 83.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.895 1.678 . . . . 0.0 111.749 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.14 -34.29 70.87 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.644 0.778 . . . . 0.0 112.617 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -64.71 -32.07 73.58 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.064 -1.022 . . . . 0.0 111.079 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.69 -29.06 61.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.3 59.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.014 0.925 . . . . 0.0 112.947 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -98.86 -3.82 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.69 1.196 . . . . 0.0 112.652 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 155.94 87.66 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.754 2.021 . . . . 0.0 111.177 164.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.7 161.11 43.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 124.183 3.256 . . . . 0.0 112.019 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.808 1.643 . . . . 0.0 113.849 -176.033 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 110.748 -0.093 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -73.85 132.47 42.57 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.89 0.876 . . . . 0.0 110.581 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -83.91 -17.23 41.43 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -71.8 151.03 43.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.755 1.222 . . . . 0.0 111.761 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -68.71 169.94 10.32 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -105.74 162.47 13.51 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.476 1.51 . . . . 0.0 110.261 161.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.73 -46.72 77.86 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -164.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -69.66 -34.65 74.29 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.489 -0.757 . . . . 0.0 112.339 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -56.31 -54.83 40.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.947 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.68 -35.57 78.37 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.048 1.294 . . . . 0.0 112.489 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.02 -61.27 2.67 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.044 1.738 . . . . 0.0 112.802 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.86 71.91 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -69.08 -53.83 18.27 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.025 1.33 . . . . 0.0 111.688 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.38 -42.55 70.49 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 116.069 1.878 . . . . 0.0 116.069 168.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -67.4 -34.14 76.65 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 44' ' ' ILE . 42.0 mt -68.13 -40.66 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.942 169.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.4 -21.97 66.81 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.379 1.072 . . . . 0.0 113.23 172.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -84.68 -3.09 58.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.813 2.045 . . . . 0.0 114.498 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.45 109.1 33.85 Favored Pre-proline 0 CA--C 1.549 0.934 0 O-C-N 120.845 -1.159 . . . . 0.0 111.76 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.95 -29.57 14.92 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.453 2.769 . . . . 0.0 114.343 -168.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.05 -6.26 54.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.077 0.951 . . . . 0.0 112.312 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.81 136.15 46.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.575 1.55 . . . . 0.0 110.301 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -74.63 152.14 39.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.432 0.56 . . . . 0.0 112.238 166.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -27.63 69.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.408 -0.182 . . . . 0.0 111.436 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.78 -44.59 61.36 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -57.07 -44.2 82.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.986 0.914 . . . . 0.0 111.136 170.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -50.73 -50.51 55.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.577 1.951 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -50.11 -43.56 51.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.859 1.664 . . . . 0.0 112.576 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -19.53 71.93 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.607 -1.107 . . . . 0.0 114.717 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -94.51 -49.5 5.63 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.179 1.489 . . . . 0.0 107.712 172.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.56 -47.74 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.452 0.701 . . . . 0.0 110.919 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.16 -47.46 83.31 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 m -58.95 -34.72 72.08 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -25.49 66.76 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.049 0.939 . . . . 0.0 113.53 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -72.03 -40.55 68.33 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.74 0.816 . . . . 0.0 111.227 170.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.4 -52.28 11.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.769 1.628 . . . . 0.0 114.631 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -126.11 61.07 38.96 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.344 2.258 . . . . 0.0 114.433 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -61.3 -12.1 22.19 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.116 3.21 . . . . 0.0 115.289 -172.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -68.26 -32.67 73.01 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.618 1.553 . . . . 0.0 112.042 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.27 23.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 120.786 -1.196 . . . . 0.0 112.958 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.6 p -40.76 -39.03 1.01 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.202 1.801 . . . . 0.0 114.025 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.53 -47.48 85.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.227 1.811 . . . . 0.0 110.632 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.85 -40.82 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.726 1.21 . . . . 0.0 111.77 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 16' ' ' ILE . 32.7 mm -63.09 -37.07 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.859 -0.525 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.04 -45.44 77.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.147 0.979 . . . . 0.0 112.583 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.2 80.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.897 0.771 . . . . 0.0 111.218 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.92 -45.77 48.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.36 72.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.038 0.381 . . . . 0.0 110.852 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -69.51 -50.53 44.27 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.032 0.933 . . . . 0.0 111.709 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.0 ttpt -53.29 -48.11 68.63 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 112.368 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 16.7 mt -70.3 -36.26 74.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.18 0.592 . . . . 0.0 112.417 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.24 -38.44 83.44 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.279 0.945 . . . . 0.0 111.131 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.15 -26.71 42.74 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.8 70.93 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.375 0.67 . . . . 0.0 111.924 167.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.19 -4.81 55.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.981 0.912 . . . . 0.0 113.344 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.84 156.06 3.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.866 2.067 . . . . 0.0 113.904 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.69 168.33 21.76 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.633 2.889 . . . . 0.0 113.306 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.864 2.066 . . . . 0.0 112.561 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.275 16.1 m-20 -67.5 143.76 56.02 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -172.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -70.51 -51.96 25.19 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.424 1.09 . . . . 0.0 112.396 -172.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -89.94 145.94 24.75 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.029 1.332 . . . . 0.0 111.5 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -76.43 145.76 39.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 157.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -68.84 159.53 32.31 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -45.57 68.5 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.875 0.761 . . . . 0.0 111.002 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -69.1 -40.15 78.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.782 1.633 . . . . 0.0 114.278 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.29 -54.68 37.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.566 0.747 . . . . 0.0 111.629 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.02 -29.65 70.05 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.024 -172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.74 -57.22 13.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.97 1.708 . . . . 0.0 111.968 167.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.22 69.44 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -75.97 -53.54 8.23 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.012 1.325 . . . . 0.0 111.143 -174.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.04 -41.93 60.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 166.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -68.96 -42.87 76.04 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.76 -31.62 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.234 1.014 . . . . 0.0 111.534 174.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.34 -34.23 74.94 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.966 0.906 . . . . 0.0 112.512 166.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.58 -15.05 59.0 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.81 118.33 71.02 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 120.356 1.434 . . . . 0.0 112.111 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.98 -31.29 1.05 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.154 2.569 . . . . 0.0 115.048 -168.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -85.08 -3.06 58.66 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.332 0.969 . . . . 0.0 112.482 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 142.05 40.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.284 1.834 . . . . 0.0 110.615 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 p -77.76 154.34 32.07 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.569 1.077 . . . . 0.0 112.115 166.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.03 -29.65 70.78 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 122.151 -0.343 . . . . 0.0 111.3 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.27 -42.95 65.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.051 1.74 . . . . 0.0 112.798 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -57.65 -44.2 85.46 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -54.28 -54.32 41.83 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.665 1.186 . . . . 0.0 111.449 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -53.4 -41.46 65.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.203 1.001 . . . . 0.0 110.688 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -43.97 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.317 -1.269 . . . . 0.0 114.374 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -84.26 -45.86 12.43 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.83 1.815 . . . . 0.0 107.73 178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.2 mt -54.66 -47.93 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.065 0.546 . . . . 0.0 110.997 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.53 -55.48 28.7 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.308 0.575 . . . . 0.0 112.199 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.4 m -58.53 -28.75 65.75 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -44.49 95.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.074 1.75 . . . . 0.0 111.546 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.45 -40.27 86.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.661 0.785 . . . . 0.0 111.401 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.59 -38.11 55.38 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -132.12 59.94 47.71 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.0 -10.05 27.19 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.811 2.341 . . . . 0.0 115.281 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -77.01 -2.09 32.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.878 1.271 . . . . 0.0 113.475 171.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.0 27.37 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.417 1.087 . . . . 0.0 111.802 167.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -53.38 -34.11 56.36 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.021 -1.049 . . . . 0.0 113.372 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -41.85 93.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.591 0.756 . . . . 0.0 112.317 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -79.49 -34.49 41.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.216 1.406 . . . . 0.0 110.41 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.4 -39.06 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.521 1.528 . . . . 0.0 110.929 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.83 -49.88 74.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.449 0.699 . . . . 0.0 109.743 165.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.29 75.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.389 0.676 . . . . 0.0 112.818 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.94 -50.78 70.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.321 0.964 . . . . 0.0 113.516 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.54 75.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.806 0.443 . . . . 0.0 111.635 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -73.06 -46.03 53.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.392 1.477 . . . . 0.0 112.524 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 12.5 ttpt -58.1 -48.08 81.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.431 1.892 . . . . 0.0 111.93 172.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 11.5 mt -70.11 -35.95 74.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.418 0.687 . . . . 0.0 112.23 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -61.01 -36.86 80.62 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.05 0.841 . . . . 0.0 110.931 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.35 -32.03 66.14 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.39 -21.8 55.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.754 1.222 . . . . 0.0 113.669 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -100.07 -8.89 23.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.99 0.916 . . . . 0.0 112.373 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.03 70.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.837 1.655 . . . . 0.0 113.659 171.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -63.85 136.67 54.28 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 124.046 3.164 . . . . 0.0 111.031 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? . . . . . 0 C--O 1.256 1.439 0 C-N-CA 125.55 1.54 . . . . 0.0 113.925 -176.183 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.94 140.09 55.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.13 -31.32 72.1 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.304 -0.872 . . . . 0.0 112.735 173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -161.82 149.59 14.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.63 1.972 . . . . 0.0 110.372 -173.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -54.01 155.19 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 172.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -89.02 159.03 17.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.059 0.944 . . . . 0.0 111.285 170.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -49.93 -48.42 51.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.556 1.542 . . . . 0.0 114.21 -172.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -80.48 -29.94 37.41 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.234 1.013 . . . . 0.0 112.747 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.22 -51.86 64.57 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.923 1.289 . . . . 0.0 112.221 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.69 -28.94 70.29 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.66 -59.23 5.21 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.384 1.074 . . . . 0.0 112.351 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.04 68.4 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.71 -56.35 6.6 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -49.11 -49.34 42.41 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 165.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -61.58 -41.34 97.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.6 mt -71.54 -39.17 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 111.762 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.57 -31.08 71.12 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.281 -0.887 . . . . 0.0 112.682 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.97 -7.49 56.88 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.06 118.89 75.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 120.609 -1.307 . . . . 0.0 110.912 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.71 -30.95 2.72 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.232 2.621 . . . . 0.0 115.353 -166.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -89.2 -18.22 27.53 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.802 1.183 . . . . 0.0 113.354 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.62 132.82 53.63 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.95 1.7 . . . . 0.0 111.16 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -74.65 151.13 39.34 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.994 -0.441 . . . . 0.0 110.704 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.0 -27.01 67.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.878 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -60.54 -52.56 64.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.555 1.942 . . . . 0.0 111.783 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.05 -46.63 85.08 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.149 1.38 . . . . 0.0 111.732 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -54.27 -53.1 58.32 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 110.554 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -36.85 38.67 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.435 1.894 . . . . 0.0 113.478 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.28 -43.04 99.65 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 121.189 -0.944 . . . . 0.0 113.069 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -80.56 -49.49 11.26 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -57.8 -48.18 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.793 0.837 . . . . 0.0 111.894 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -44.73 94.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.389 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -64.05 -25.72 68.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -30.87 71.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 119.672 1.124 . . . . 0.0 112.406 169.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -76.58 -27.28 55.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.826 1.251 . . . . 0.0 112.002 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -79.9 -51.56 8.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.477 1.511 . . . . 0.0 112.249 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -132.12 66.54 77.66 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 126.566 1.947 . . . . 0.0 114.756 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.36 -9.73 24.98 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.85 2.367 . . . . 0.0 115.906 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -77.53 -18.13 57.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.549 1.522 . . . . 0.0 113.617 169.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.291 6.2 m -93.65 20.78 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 120.974 -1.079 . . . . 0.0 112.68 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -45.01 -43.43 9.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.243 1.417 . . . . 0.0 112.388 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -59.34 -47.14 86.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.365 2.266 . . . . 0.0 110.541 178.489 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.52 -29.96 52.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.893 1.277 . . . . 0.0 111.808 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -75.94 -40.42 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.885 1.674 . . . . 0.0 110.58 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.21 -45.94 89.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.089 0.956 . . . . 0.0 110.845 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.9 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.368 0.667 . . . . 0.0 112.778 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.43 -53.37 57.46 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.49 1.516 . . . . 0.0 112.139 174.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.73 79.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.385 0.674 . . . . 0.0 111.818 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -70.71 -45.46 64.89 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.948 0.899 . . . . 0.0 112.059 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -60.79 -44.14 97.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.391 1.477 . . . . 0.0 112.11 171.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.51 -25.6 62.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.01 -37.83 78.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.023 0.829 . . . . 0.0 111.61 166.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.31 -37.99 84.25 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -20.48 65.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.94 0.896 . . . . 0.0 112.317 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -107.87 3.63 24.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.545 1.138 . . . . 0.0 112.682 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 152.03 78.38 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.74 1.616 . . . . 0.0 112.362 170.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.23 150.78 71.83 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 124.463 3.442 . . . . 0.0 114.124 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 C--O 1.251 1.137 0 C-N-CA 128.829 2.852 . . . . 0.0 110.163 173.233 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.818 -0.067 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.59 123.41 22.43 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -127.03 5.96 6.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.27 1.428 . . . . 0.0 113.722 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -141.86 138.25 32.0 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.343 1.457 . . . . 0.0 111.081 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -75.46 158.85 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -79.57 167.37 20.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.962 0.905 . . . . 0.0 110.492 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -60.57 -42.78 97.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.08 -31.16 25.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.952 0.796 . . . . 0.0 111.303 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' CG ' ' HB3' ' A' ' 38' ' ' PRO . 81.3 mt-30 -55.35 -55.14 34.95 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.517 0.599 . . . . 0.0 112.09 171.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -61.71 -30.99 71.11 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -61.72 -64.08 1.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.767 2.027 . . . . 0.0 112.309 167.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.87 69.73 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.79 -55.31 15.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.746 1.618 . . . . 0.0 110.806 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.64 -43.41 62.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.636 2.088 . . . . 0.0 116.636 168.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -66.59 -40.15 88.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.914 1.286 . . . . 0.0 113.804 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.86 -40.19 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.534 1.133 . . . . 0.0 110.833 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -20.62 63.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.621 1.168 . . . . 0.0 113.627 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.05 -17.35 52.97 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.11 118.21 71.33 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.302 0.955 . . . . 0.0 111.743 -171.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.84 -38.45 0.36 Allowed 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.07 2.513 . . . . 0.0 114.836 -167.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -79.59 -10.9 59.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.156 0.982 . . . . 0.0 113.011 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.86 137.76 57.96 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.292 1.037 . . . . 0.0 110.296 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.3 2.9 p -73.67 151.24 40.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.27 -14.91 29.86 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.046 1.338 . . . . 0.0 113.026 173.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.03 -55.25 3.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.893 1.677 . . . . 0.0 112.653 165.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -50.83 -42.28 58.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.084 1.353 . . . . 0.0 113.028 -172.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -49.71 -53.17 26.3 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.507 1.523 . . . . 0.0 111.615 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.75 -29.39 69.36 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.72 2.008 . . . . 0.0 111.392 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.94 -43.5 95.88 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 119.534 1.061 . . . . 0.0 114.025 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.74 -44.39 33.35 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.03 -45.08 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.164 0.586 . . . . 0.0 111.755 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -51.5 -52.28 48.08 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.902 -0.499 . . . . 0.0 111.941 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -59.57 -30.23 68.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.503 1.521 . . . . 0.0 114.14 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.0 -25.8 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.829 2.052 . . . . 0.0 113.533 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -70.01 -34.27 73.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.06 0.544 . . . . 0.0 111.393 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -76.35 -52.22 10.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.019 2.528 . . . . 0.0 116.506 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -130.15 68.66 81.32 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HB3' ' CG ' ' A' ' 9' ' ' GLN . 44.7 Cg_endo -60.69 -18.41 55.25 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.306 2.67 . . . . 0.0 115.355 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -53.33 -35.35 60.1 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.025 -1.047 . . . . 0.0 113.042 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -97.72 23.55 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.469 1.107 . . . . 0.0 112.025 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.5 m -44.97 -37.97 4.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.679 1.192 . . . . 0.0 113.704 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.35 95.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.351 1.461 . . . . 0.0 111.843 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.75 -32.31 23.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.928 1.291 . . . . 0.0 110.615 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -66.64 -39.71 84.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.52 -0.738 . . . . 0.0 110.537 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.63 -41.93 98.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.922 0.889 . . . . 0.0 111.625 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.64 99.12 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.189 0.596 . . . . 0.0 111.484 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.98 -40.17 75.51 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.1 95.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.499 0.59 . . . . 0.0 111.045 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -65.0 -49.25 70.95 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.83 0.852 . . . . 0.0 112.5 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -32.57 70.73 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.28 -28.86 61.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.811 1.187 . . . . 0.0 113.127 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.54 -39.51 85.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.476 1.035 . . . . 0.0 111.209 168.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -31.15 71.09 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 114.301 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.52 64.95 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.354 -0.841 . . . . 0.0 112.973 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -101.33 -11.09 19.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.211 1.004 . . . . 0.0 112.899 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 168.22 6.13 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 126.823 2.049 . . . . 0.0 112.098 163.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.88 169.5 8.74 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 124.393 3.395 . . . . 0.0 113.653 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 C--O 1.255 1.384 0 C-N-CA 124.597 1.159 . . . . 0.0 113.469 170.502 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -58.82 130.39 46.73 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.97 -28.86 65.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.4 -0.812 . . . . 0.0 111.227 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -72.78 132.67 43.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.546 1.938 . . . . 0.0 113.616 -166.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.28 149.26 21.54 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 160.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -87.07 161.68 18.01 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.208 1.003 . . . . 0.0 110.086 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -56.46 -35.02 67.44 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -167.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -74.53 -40.14 61.92 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.362 1.065 . . . . 0.0 112.915 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.89 -46.13 89.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.593 0.757 . . . . 0.0 112.148 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -60.07 -31.01 69.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.18 -51.86 33.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 112.455 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.64 73.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.747 . . . . 0.0 112.363 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.86 -52.91 37.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.653 1.581 . . . . 0.0 111.569 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.6 -45.77 38.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.78 -39.84 91.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.741 1.616 . . . . 0.0 113.997 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.56 -39.49 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.115 1.366 . . . . 0.0 111.71 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.34 -27.27 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.062 0.945 . . . . 0.0 113.412 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -79.47 -11.23 59.91 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.87 126.5 86.96 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 119.644 1.111 . . . . 0.0 112.721 -170.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.23 -32.59 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.049 2.5 . . . . 0.0 115.231 -169.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -88.93 -18.12 28.15 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.99 1.268 . . . . 0.0 112.555 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.08 133.84 52.5 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.225 1.41 . . . . 0.0 111.875 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.257 3.8 p -74.55 151.05 39.5 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.05 -21.95 66.73 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.4 175.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.29 -46.26 34.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.861 2.064 . . . . 0.0 113.848 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.16 -41.9 98.75 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.554 1.142 . . . . 0.0 111.773 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -49.81 -48.6 50.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.015 1.726 . . . . 0.0 111.865 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -53.01 -39.62 63.27 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 127.542 2.337 . . . . 0.0 112.476 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.33 -34.12 74.18 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 120.386 1.448 . . . . 0.0 114.378 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.79 -48.28 13.84 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.92 -50.41 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.82 0.448 . . . . 0.0 110.534 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -53.32 -53.64 48.05 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.334 0.587 . . . . 0.0 111.527 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -57.85 -29.81 65.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.585 1.154 . . . . 0.0 113.901 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -31.54 72.47 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.796 2.039 . . . . 0.0 112.729 172.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -72.53 -30.49 64.51 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.136 0.975 . . . . 0.0 111.309 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.07 -56.38 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -125.15 67.87 55.75 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -172.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -65.39 -12.61 35.7 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.353 2.035 . . . . 0.0 114.562 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -10.46 54.24 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.798 -1.189 . . . . 0.0 112.783 171.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -114.57 23.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.515 1.526 . . . . 0.0 113.425 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -38.92 -46.39 1.31 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.761 1.624 . . . . 0.0 114.179 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -40.12 79.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.5 1.92 . . . . 0.0 111.942 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.19 -29.11 21.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.883 1.273 . . . . 0.0 113.047 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -71.33 -38.88 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.03 0.932 . . . . 0.0 110.249 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.02 -44.55 94.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.014 0.526 . . . . 0.0 111.144 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.15 80.89 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.669 0.668 . . . . 0.0 112.775 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.41 -49.67 70.63 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.184 -0.947 . . . . 0.0 113.382 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.49 73.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -74.24 -43.75 55.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.785 1.234 . . . . 0.0 112.865 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.5 ttpt -57.52 -47.94 80.63 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.588 1.955 . . . . 0.0 112.412 169.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 10.9 mt -72.89 -31.77 64.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.451 0.7 . . . . 0.0 112.546 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.1 -36.23 82.91 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.507 -0.746 . . . . 0.0 110.552 166.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.4 -31.08 65.24 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.81 -22.27 61.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.624 1.17 . . . . 0.0 113.247 173.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.62 4.33 32.64 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.426 1.09 . . . . 0.0 112.704 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.79 155.88 38.46 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.907 1.683 . . . . 0.0 112.956 169.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.79 171.8 16.61 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.911 3.074 . . . . 0.0 112.722 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.647 168.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 120.289 0.09 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.76 -52.68 61.82 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.929 0.892 . . . . 0.0 112.121 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -61.46 -36.5 80.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.901 0.773 . . . . 0.0 112.529 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.27 -55.32 36.41 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.769 1.228 . . . . 0.0 111.475 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.3 75.21 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.28 -50.87 17.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.773 1.229 . . . . 0.0 109.037 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.83 -48.31 59.92 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 165.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.58 -41.55 99.01 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.753 0.821 . . . . 0.0 113.154 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.72 -35.99 57.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.93 0.892 . . . . 0.0 111.285 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.25 -32.52 73.95 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.392 1.077 . . . . 0.0 112.844 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -72.85 -17.99 61.49 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.643 1.177 . . . . 0.0 113.831 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.46 119.71 78.34 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.024 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.56 -35.37 0.58 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.408 2.739 . . . . 0.0 115.373 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -81.72 0.43 38.95 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.997 1.271 . . . . 0.0 113.125 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.56 142.61 35.55 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.644 1.577 . . . . 0.0 110.565 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -86.58 159.48 19.23 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.68 -2.37 1.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.54 1.936 . . . . 0.0 113.198 170.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.29 -49.52 3.34 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.572 1.949 . . . . 0.0 113.484 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -57.51 -44.25 84.88 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.164 1.386 . . . . 0.0 111.442 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.71 -53.47 38.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.026 1.33 . . . . 0.0 111.146 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -56.24 -38.24 70.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.43 1.492 . . . . 0.0 111.39 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.02 -30.79 74.41 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 119.627 1.103 . . . . 0.0 114.748 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.99 -48.83 7.47 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.12 -49.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.043 0.838 . . . . 0.0 112.28 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -55.16 -49.15 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.878 0.847 . . . . 0.0 111.502 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -60.33 -28.28 68.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.597 1.959 . . . . 0.0 113.874 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -42.71 78.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.787 2.035 . . . . 0.0 111.524 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.91 -37.92 83.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.667 0.787 . . . . 0.0 111.12 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -66.9 -47.33 72.13 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -137.57 70.86 52.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 125.738 1.615 . . . . 0.0 115.295 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.69 -20.15 68.49 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.543 2.162 . . . . 0.0 115.228 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -58.41 -26.94 63.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.731 1.212 . . . . 0.0 113.058 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m -102.02 20.67 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.155 1.382 . . . . 0.0 112.826 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.1 m -48.15 -39.13 19.78 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.54 -40.35 74.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.506 1.922 . . . . 0.0 112.232 176.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.3 -29.05 20.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.233 1.413 . . . . 0.0 111.615 -173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -69.13 -38.47 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 0.0 110.26 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.83 -44.62 90.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.133 0.973 . . . . 0.0 111.555 170.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.01 69.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.59 -48.06 57.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 114.054 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.074 0.397 . . . . 0.0 111.292 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -63.58 -48.68 76.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.206 1.002 . . . . 0.0 111.337 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.44 -43.81 98.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.43 1.892 . . . . 0.0 112.585 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.74 -31.95 65.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.302 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.15 -37.43 87.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.288 0.949 . . . . 0.0 111.249 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.77 -26.56 64.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 114.92 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.31 63.79 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.141 -0.974 . . . . 0.0 112.478 171.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -98.31 -4.55 34.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 127.056 2.143 . . . . 0.0 113.304 164.815 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 119.086 -0.483 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -55.98 -54.69 41.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.243 1.017 . . . . 0.0 111.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.41 -34.92 78.8 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.028 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -56.76 17.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.066 1.346 . . . . 0.0 112.738 171.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.52 69.64 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -69.73 -55.85 8.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.978 1.311 . . . . 0.0 111.585 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -52.41 -47.04 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 168.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.12 -44.49 87.77 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.609 -0.682 . . . . 0.0 112.155 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.62 -35.55 73.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.963 1.305 . . . . 0.0 111.821 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.49 -28.72 70.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.947 0.899 . . . . 0.0 112.981 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -92.51 -7.53 47.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.13 123.59 89.68 Favored Pre-proline 0 CA--C 1.553 1.083 0 CA-C-N 120.003 1.274 . . . . 0.0 112.411 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -85.82 -34.52 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.651 3.568 . . . . 0.0 116.1 -167.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -84.77 -13.07 52.32 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 111.84 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.08 139.61 57.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.251 1.82 . . . . 0.0 110.932 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -76.62 153.56 35.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 166.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.2 -29.94 70.12 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -71.41 -48.37 50.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.268 1.027 . . . . 0.0 112.447 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -53.44 -42.18 66.84 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.609 1.164 . . . . 0.0 111.437 169.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -54.74 -50.63 67.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.294 1.438 . . . . 0.0 111.888 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -54.77 -41.82 70.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 110.344 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.35 11.3 1.59 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 126.659 2.076 . . . . 0.0 116.176 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -129.82 -42.07 1.29 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 1.414 . . . . 0.0 107.745 161.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -54.49 -47.48 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.383 0.992 . . . . 0.0 111.187 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.97 79.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -57.73 -34.79 69.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.264 1.425 . . . . 0.0 113.139 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.11 -40.38 78.39 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.362 1.865 . . . . 0.0 111.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -64.16 -42.54 96.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.455 0.702 . . . . 0.0 111.178 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -62.48 -37.77 87.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -143.0 68.61 18.06 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.877 1.271 . . . . 0.0 114.333 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.06 -15.01 46.83 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.181 2.587 . . . . 0.0 112.926 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -75.04 -4.91 41.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.042 1.337 . . . . 0.0 114.041 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.53 28.74 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.302 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -49.49 -35.32 19.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.319 1.048 . . . . 0.0 113.26 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -38.51 79.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.928 1.291 . . . . 0.0 111.872 176.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -88.16 -30.79 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.433 1.493 . . . . 0.0 112.445 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -70.0 -37.86 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 123.495 0.718 . . . . 0.0 110.648 169.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.23 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.308 0.643 . . . . 0.0 110.58 166.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.83 70.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.669 0.668 . . . . 0.0 112.707 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.96 -56.45 15.09 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.717 1.207 . . . . 0.0 113.143 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.77 78.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.831 0.453 . . . . 0.0 111.057 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -69.04 -46.33 68.18 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.395 1.078 . . . . 0.0 111.751 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.88 -45.86 92.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.739 1.616 . . . . 0.0 112.146 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.3 -34.37 74.59 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.983 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -65.75 -35.68 81.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.086 0.857 . . . . 0.0 111.519 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -71.5 -32.95 68.79 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.111 0.965 . . . . 0.0 112.247 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.38 -11.98 59.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.123 1.369 . . . . 0.0 114.313 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -110.52 2.89 19.07 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.897 1.279 . . . . 0.0 113.179 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 126.704 2.002 . . . . 0.0 112.982 165.262 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.07 -50.25 74.03 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.499 1.52 . . . . 0.0 111.926 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.99 -26.36 68.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -72.59 -55.01 7.56 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.838 0.855 . . . . 0.0 111.336 170.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -35.96 75.6 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.73 -54.48 15.85 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.109 1.364 . . . . 0.0 112.004 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -39.03 60.13 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 167.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.71 -42.37 74.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.179 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.84 -30.62 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.027 1.331 . . . . 0.0 111.704 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.65 -39.99 95.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.982 0.913 . . . . 0.0 112.15 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -71.79 -15.0 62.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.85 115.86 53.7 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 119.295 0.952 . . . . 0.0 110.585 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.0 -37.9 0.51 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.634 2.223 . . . . 0.0 114.694 -166.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -79.74 -20.46 46.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 0.0 112.866 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.46 137.63 23.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.348 1.459 . . . . 0.0 110.078 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.33 2.0 p -75.26 149.65 38.78 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 173.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -66.63 -13.3 60.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.196 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -79.59 -56.44 4.3 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.696 1.599 . . . . 0.0 113.52 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -54.83 -41.38 70.62 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.194 1.397 . . . . 0.0 112.365 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -48.57 -50.21 33.32 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.842 1.257 . . . . 0.0 111.712 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.19 -30.11 66.17 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 127.199 2.2 . . . . 0.0 112.216 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 -39.73 76.9 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.092 1.315 . . . . 0.0 113.53 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -80.03 -43.44 21.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.39 -50.26 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.202 0.91 . . . . 0.0 110.248 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -53.74 -53.38 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.406 0.622 . . . . 0.0 111.434 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -55.08 -32.65 62.12 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.107 1.363 . . . . 0.0 113.72 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -43.73 71.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.337 1.855 . . . . 0.0 111.556 174.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -61.5 -35.33 77.39 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.288 0.635 . . . . 0.0 110.785 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -70.34 -49.17 52.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.59 1.156 . . . . 0.0 113.674 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -139.76 73.42 34.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.42 -12.64 36.53 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.327 2.018 . . . . 0.0 114.861 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -72.55 -11.09 60.51 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.179 1.354 . . . . 0.0 113.789 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.11 23.09 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.135 1.374 . . . . 0.0 112.954 172.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -52.48 -31.93 37.39 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.902 -1.124 . . . . 0.0 113.741 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -47.79 76.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.129 2.171 . . . . 0.0 111.604 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -78.32 -31.23 48.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.77 1.628 . . . . 0.0 111.791 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.922 0.889 . . . . 0.0 110.871 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.85 -45.74 89.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.7 0.8 . . . . 0.0 110.801 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.55 86.76 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.09 -50.99 71.03 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.425 -0.797 . . . . 0.0 112.814 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.82 83.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.841 0.456 . . . . 0.0 111.566 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -68.5 -48.6 64.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.895 0.878 . . . . 0.0 111.725 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -60.67 -43.8 97.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.399 1.879 . . . . 0.0 112.617 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.9 -30.09 66.34 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.112 0.869 . . . . 0.0 112.489 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -68.77 -35.74 77.44 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.243 -0.911 . . . . 0.0 111.618 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.87 -28.09 63.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.306 1.042 . . . . 0.0 113.395 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.25 93.72 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.156 -0.965 . . . . 0.0 111.076 170.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -99.57 2.9 45.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.126 0.97 . . . . 0.0 113.331 -168.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 126.582 1.953 . . . . 0.0 114.161 168.066 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -72.55 -54.51 8.99 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.346 1.058 . . . . 0.0 111.648 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -63.67 -34.63 78.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.673 0.669 . . . . 0.0 112.34 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.32 -51.5 69.68 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.264 0.483 . . . . 0.0 111.648 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.73 74.42 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -68.71 -54.84 13.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.282 1.433 . . . . 0.0 114.056 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.61 -44.09 65.8 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 166.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.97 -41.31 97.59 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.66 -34.79 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.122 1.369 . . . . 0.0 111.504 174.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.53 -35.55 80.85 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.642 1.177 . . . . 0.0 112.679 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -69.88 -18.73 63.43 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.226 1.01 . . . . 0.0 113.533 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -75.44 115.14 42.73 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.388 1.075 . . . . 0.0 111.396 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.29 -33.16 0.57 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.031 2.487 . . . . 0.0 115.542 -166.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -80.66 -20.3 43.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.155 0.889 . . . . 0.0 112.026 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.88 140.21 43.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.514 1.525 . . . . 0.0 110.298 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -81.77 149.67 28.28 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.53 -32.41 67.05 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.77 0.795 . . . . 0.0 110.471 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -67.72 -48.51 66.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.07 2.148 . . . . 0.0 113.996 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -61.28 -39.91 92.18 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.47 1.108 . . . . 0.0 112.034 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -54.78 -43.49 72.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.344 1.058 . . . . 0.0 111.842 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -50.14 -39.97 44.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.845 2.058 . . . . 0.0 112.916 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.63 -29.92 74.35 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 119.456 1.025 . . . . 0.0 114.55 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.16 -46.47 9.73 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.23 -48.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.715 0.806 . . . . 0.0 110.997 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -54.38 -54.46 40.32 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.995 0.426 . . . . 0.0 111.939 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -57.26 -31.84 65.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.345 1.058 . . . . 0.0 113.85 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -36.57 84.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.745 1.218 . . . . 0.0 112.061 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.19 -45.32 81.24 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.385 -0.822 . . . . 0.0 110.527 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -66.33 -51.98 51.78 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -125.87 63.45 47.54 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.193 1.797 . . . . 0.0 113.717 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -62.11 -18.59 62.72 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.975 2.45 . . . . 0.0 113.966 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.0 p -68.73 -6.11 24.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.818 2.047 . . . . 0.0 115.414 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.23 26.3 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.327 1.451 . . . . 0.0 112.1 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -51.89 -33.08 35.25 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.609 -1.307 . . . . 0.0 113.606 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.75 75.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.718 1.607 . . . . 0.0 112.319 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.79 -27.08 20.23 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.124 1.37 . . . . 0.0 111.233 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -73.87 -42.58 53.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.58 1.152 . . . . 0.0 110.9 170.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.26 -41.12 83.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.704 0.801 . . . . 0.0 110.941 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.49 82.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.708 . . . . 0.0 112.447 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.97 -46.47 65.15 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.283 1.033 . . . . 0.0 113.509 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.75 80.97 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.155 0.434 . . . . 0.0 110.393 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.16 -53.04 51.04 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.074 0.95 . . . . 0.0 111.99 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -29.29 69.2 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -77.78 -31.09 51.71 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.314 0.961 . . . . 0.0 113.59 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -66.54 -38.38 87.02 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.905 1.23 . . . . 0.0 110.984 167.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.72 -29.78 69.11 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.073 1.749 . . . . 0.0 114.519 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.95 55.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.53 1.132 . . . . 0.0 113.836 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -100.92 -7.75 23.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.674 1.189 . . . . 0.0 112.969 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 126.239 1.816 . . . . 0.0 112.535 165.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -54.08 -53.79 48.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.759 0.709 . . . . 0.0 111.749 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.59 -33.07 70.99 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.56 0.618 . . . . 0.0 112.369 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -66.63 -60.61 2.56 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.984 1.714 . . . . 0.0 113.099 172.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.0 70.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.83 -56.41 12.04 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.684 1.594 . . . . 0.0 112.533 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -41.93 63.67 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.86 -40.33 91.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.77 1.228 . . . . 0.0 113.015 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.35 -40.62 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 119.667 1.121 . . . . 0.0 111.054 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.78 -23.72 66.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.129 0.972 . . . . 0.0 112.981 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -78.3 -10.78 59.81 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.23 127.22 69.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.214 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -87.71 -36.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.694 2.929 . . . . 0.0 115.065 -172.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -80.1 -18.63 49.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.305 -0.872 . . . . 0.0 112.0 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.5 135.25 57.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.417 1.487 . . . . 0.0 110.419 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.288 2.5 p -76.89 152.52 35.36 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 174.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.85 -24.98 60.0 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 172.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.14 -45.83 15.83 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.44 1.896 . . . . 0.0 112.102 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.38 -44.23 92.8 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.825 1.25 . . . . 0.0 112.82 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -44.65 -48.62 10.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.919 1.688 . . . . 0.0 111.393 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -55.27 -41.39 72.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.124 1.77 . . . . 0.0 113.156 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.34 72.72 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.103 -0.998 . . . . 0.0 114.456 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -90.93 -49.44 6.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.96 -49.28 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.227 1.011 . . . . 0.0 111.686 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -44.1 97.9 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -60.21 -32.56 71.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.294 1.038 . . . . 0.0 112.751 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -27.99 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.8 1.64 . . . . 0.0 113.564 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -71.55 -41.0 69.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.85 0.86 . . . . 0.0 110.831 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -70.69 -52.37 21.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.868 2.067 . . . . 0.0 115.631 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -129.64 63.89 69.72 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 126.65 1.98 . . . . 0.0 115.223 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -61.03 -13.8 29.63 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.395 2.73 . . . . 0.0 113.635 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -60.06 -17.66 41.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 113.048 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.23 26.61 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.964 1.705 . . . . 0.0 113.232 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -43.57 -41.08 4.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.763 1.225 . . . . 0.0 113.712 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -61.65 -35.08 76.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.728 2.411 . . . . 0.0 112.213 -179.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -86.63 -35.42 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.376 1.07 . . . . 0.0 112.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.67 -40.56 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.657 0.783 . . . . 0.0 111.174 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.98 -43.91 98.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.338 0.655 . . . . 0.0 110.833 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.98 85.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.76 -45.51 67.91 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.147 0.979 . . . . 0.0 113.192 173.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.44 75.15 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.195 0.452 . . . . 0.0 110.823 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.89 -53.18 34.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.437 1.095 . . . . 0.0 112.22 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -22.62 64.96 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.48 -28.13 31.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.983 0.913 . . . . 0.0 113.373 169.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.31 -39.55 74.73 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.218 -0.926 . . . . 0.0 111.393 167.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.09 -34.61 78.82 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.585 1.954 . . . . 0.0 109.985 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.25 -23.52 57.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -104.99 -1.62 25.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.493 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 126.055 1.742 . . . . 0.0 114.114 172.591 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -56.33 -51.58 67.73 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.795 0.838 . . . . 0.0 111.947 170.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.17 -25.1 65.08 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.28 -65.65 0.65 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.117 1.767 . . . . 0.0 111.696 167.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.78 68.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.73 -55.5 7.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.208 1.003 . . . . 0.0 111.009 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -52.65 -42.99 65.18 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.61 -51.01 70.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.654 1.182 . . . . 0.0 112.949 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.69 -31.27 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.793 1.237 . . . . 0.0 111.372 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 41.7 mt -62.69 -33.55 75.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.766 0.827 . . . . 0.0 113.025 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.37 -27.11 38.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -173.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.1 120.63 63.13 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 119.157 0.89 . . . . 0.0 112.408 -166.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.63 -41.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.959 2.439 . . . . 0.0 115.321 -166.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.58 -19.81 51.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.403 0.681 . . . . 0.0 111.5 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.36 133.63 56.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.375 1.87 . . . . 0.0 110.616 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -73.44 153.81 40.23 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.231 -0.293 . . . . 0.0 111.621 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -66.12 -27.12 67.81 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.283 0.563 . . . . 0.0 111.13 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -67.9 -48.78 65.07 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.162 1.785 . . . . 0.0 113.427 174.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.41 -44.29 88.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.851 1.261 . . . . 0.0 110.854 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 23.5 ttm-85 -51.39 -50.85 58.8 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.227 1.411 . . . . 0.0 111.247 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -53.05 -44.55 67.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.742 1.217 . . . . 0.0 111.595 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.33 -22.34 63.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.803 1.192 . . . . 0.0 115.875 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.49 -47.24 5.74 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.427 1.613 . . . . 0.0 106.651 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.35 -50.48 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.886 1.221 . . . . 0.0 111.809 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -53.73 -54.01 44.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.544 0.338 . . . . 0.0 111.827 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -61.61 -22.92 65.66 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -43.18 80.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 120.284 1.402 . . . . 0.0 111.651 167.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.19 -41.75 99.24 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 121.42 -0.8 . . . . 0.0 110.943 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.47 -47.84 45.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.521 1.528 . . . . 0.0 114.623 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -131.11 60.7 54.89 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.484 1.914 . . . . 0.0 115.858 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.09 -16.0 51.6 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.213 2.609 . . . . 0.0 114.477 -173.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -68.48 -14.59 63.11 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.721 -1.237 . . . . 0.0 113.547 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.51 25.5 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.451 1.1 . . . . 0.0 112.483 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.8 p -45.35 -38.26 5.65 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.766 1.227 . . . . 0.0 113.873 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -46.66 82.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.313 1.845 . . . . 0.0 110.672 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.71 -32.94 53.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.984 1.714 . . . . 0.0 112.765 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.52 -41.3 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.057 0.943 . . . . 0.0 110.252 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.55 -40.8 97.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.524 0.73 . . . . 0.0 111.433 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.46 91.18 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.259 0.936 . . . . 0.0 112.156 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.29 -44.31 65.44 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.372 1.069 . . . . 0.0 112.942 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.71 77.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.677 0.671 . . . . 0.0 111.38 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -69.04 -52.54 27.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.399 1.08 . . . . 0.0 112.443 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -29.08 69.82 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.729 1.15 . . . . 0.0 113.633 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -29.91 44.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.748 1.158 . . . . 0.0 113.215 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -69.65 -45.87 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.929 1.241 . . . . 0.0 111.002 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.1 -21.43 56.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.33 -40.51 70.69 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.968 -0.457 . . . . 0.0 111.948 164.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -81.92 -3.71 54.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.879 0.872 . . . . 0.0 113.197 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 125.909 1.683 . . . . 0.0 111.75 162.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -61.96 -53.52 54.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.457 0.571 . . . . 0.0 112.176 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -66.19 -33.12 75.04 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.322 0.965 . . . . 0.0 112.604 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.82 -55.45 32.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.134 0.974 . . . . 0.0 112.648 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.54 73.37 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.77 -55.29 13.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.192 1.797 . . . . 0.0 113.469 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.32 -43.84 64.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 166.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -66.44 -38.78 88.16 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.68 -40.94 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.379 1.072 . . . . 0.0 110.76 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.51 -22.98 67.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.766 1.226 . . . . 0.0 113.815 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -20.83 60.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.23 119.47 76.54 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.069 0.947 . . . . 0.0 112.043 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.72 -36.58 0.58 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.72 2.947 . . . . 0.0 114.907 -167.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.46 -21.24 28.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.075 0.95 . . . . 0.0 111.161 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.07 135.82 57.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.847 2.059 . . . . 0.0 111.237 173.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -80.96 152.9 27.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -53.74 -37.01 62.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.48 0.712 . . . . 0.0 110.881 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.81 -50.13 58.48 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.226 1.01 . . . . 0.0 112.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.13 -43.62 78.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.245 1.018 . . . . 0.0 111.933 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -53.64 -48.61 69.22 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.519 1.128 . . . . 0.0 111.852 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -55.63 -37.23 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.624 1.57 . . . . 0.0 111.28 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.57 -19.83 75.05 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 119.944 1.247 . . . . 0.0 115.805 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.19 -47.37 6.67 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.24 -48.25 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.278 0.945 . . . . 0.0 111.372 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -53.92 -51.73 62.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.118 0.961 . . . . 0.0 111.846 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 m -58.47 -31.24 67.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.811 1.644 . . . . 0.0 113.436 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -31.02 71.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.718 1.607 . . . . 0.0 112.228 172.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -72.27 -39.18 68.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.234 1.014 . . . . 0.0 111.666 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -68.69 -60.35 2.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.995 1.318 . . . . 0.0 113.527 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -123.23 62.49 21.17 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -170.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -66.06 -7.6 17.55 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.64 2.226 . . . . 0.0 113.703 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -63.53 -11.17 22.06 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.362 1.465 . . . . 0.0 114.527 163.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -121.66 24.72 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.863 1.665 . . . . 0.0 112.436 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -40.18 -45.16 1.98 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.605 1.562 . . . . 0.0 114.424 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.33 -44.05 79.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.938 2.895 . . . . 0.0 111.233 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.27 -31.06 25.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.444 1.497 . . . . 0.0 112.076 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -69.2 -40.04 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.488 0.715 . . . . 0.0 110.493 173.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 -43.42 84.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.425 0.69 . . . . 0.0 110.691 166.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.2 86.29 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.172 0.589 . . . . 0.0 112.571 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.65 -43.03 77.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.516 1.053 . . . . 0.0 113.518 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.03 85.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.871 0.305 . . . . 0.0 110.894 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -66.55 -52.31 47.09 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.271 1.028 . . . . 0.0 112.485 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -26.36 66.77 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.86 -35.18 57.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.197 0.908 . . . . 0.0 112.578 168.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.4 -37.29 86.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.522 1.056 . . . . 0.0 111.616 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.38 -35.0 78.45 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.492 1.117 . . . . 0.0 111.154 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.37 -32.91 72.25 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.35 -2.42 56.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.055 1.342 . . . . 0.0 113.378 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 124.989 1.315 . . . . 0.0 112.718 171.102 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -53.75 -57.11 12.03 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.835 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -57.64 -36.08 71.37 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.909 0.777 . . . . 0.0 113.027 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.42 -59.62 4.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.229 1.412 . . . . 0.0 113.449 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.65 70.04 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.91 -56.52 7.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.619 1.968 . . . . 0.0 113.018 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -41.43 62.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.89 -37.01 83.58 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.3 mt -68.25 -39.03 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 111.374 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.88 -22.35 66.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.845 1.258 . . . . 0.0 113.631 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -73.65 -27.55 61.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.42 1.488 . . . . 0.0 113.998 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.13 125.52 87.82 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.097 0.959 . . . . 0.0 112.633 -163.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -81.9 -34.72 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.688 2.925 . . . . 0.0 115.275 -171.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -84.67 -18.33 35.68 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.596 1.089 . . . . 0.0 112.653 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.22 137.79 58.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.685 1.594 . . . . 0.0 111.063 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 p -85.7 154.55 21.57 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -63.45 -21.38 66.27 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -70.77 -51.11 29.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.598 -1.314 . . . . 0.0 113.669 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -60.34 -48.84 80.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.669 1.188 . . . . 0.0 112.002 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -49.65 -55.85 12.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.627 1.571 . . . . 0.0 111.644 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -29.98 44.81 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.624 1.97 . . . . 0.0 113.072 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.26 -41.73 37.45 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.472 1.033 . . . . 0.0 113.845 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.56 -43.49 38.75 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 mt -56.41 -48.06 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 110.419 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -53.47 -54.05 42.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 120.943 0.401 . . . . 0.0 111.596 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -58.24 -29.88 66.09 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.84 -29.12 66.3 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.516 1.053 . . . . 0.0 113.449 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.93 -42.24 73.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.328 0.651 . . . . 0.0 110.809 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.86 -47.6 37.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.768 1.627 . . . . 0.0 114.111 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -133.02 61.61 57.05 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 127.192 2.197 . . . . 0.0 114.714 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -58.47 -16.7 30.61 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.362 2.708 . . . . 0.0 113.796 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -57.05 -30.69 64.47 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.218 1.407 . . . . 0.0 113.385 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.88 23.26 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.549 1.14 . . . . 0.0 112.818 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -46.28 -37.09 6.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.98 -38.44 76.09 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.21 2.204 . . . . 0.0 112.168 175.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -85.35 -33.97 21.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.648 1.179 . . . . 0.0 111.798 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -67.61 -41.95 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.098 -1.001 . . . . 0.0 111.083 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.94 -47.36 85.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.227 0.467 . . . . 0.0 110.307 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.87 77.3 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.18 -48.98 66.31 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.273 1.029 . . . . 0.0 113.657 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.12 85.66 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.199 0.524 . . . . 0.0 111.514 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.67 -45.85 64.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.275 1.03 . . . . 0.0 111.737 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.24 -50.26 73.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.131 1.772 . . . . 0.0 112.117 170.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.56 -24.76 61.98 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.031 0.832 . . . . 0.0 112.657 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -69.32 -34.62 74.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.14 0.882 . . . . 0.0 111.37 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.76 -32.55 62.09 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.946 0.879 . . . . 0.0 112.643 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.15 69.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.132 0.973 . . . . 0.0 112.13 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -100.21 1.96 42.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.945 1.298 . . . . 0.0 113.218 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 126.77 2.028 . . . . 0.0 112.064 164.253 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -64.34 -58.61 6.0 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.975 0.91 . . . . 0.0 111.413 171.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.89 -36.27 76.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.509 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -58.16 -57.91 10.78 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 172.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -25.67 67.35 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -73.33 -56.63 4.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.798 1.639 . . . . 0.0 112.528 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -39.57 71.65 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.66 -45.82 92.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.859 0.864 . . . . 0.0 112.621 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.51 -37.31 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.966 1.307 . . . . 0.0 111.291 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.64 -19.54 40.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.329 1.052 . . . . 0.0 113.491 172.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -98.9 -7.83 26.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.37 124.98 91.62 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 120.413 1.461 . . . . 0.0 111.059 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -87.99 -30.56 0.25 Allowed 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.078 2.519 . . . . 0.0 115.75 -165.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -85.74 -22.26 27.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.842 -1.161 . . . . 0.0 111.402 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.02 133.86 55.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.06 2.144 . . . . 0.0 111.596 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -78.26 154.44 30.98 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -26.68 63.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.252 1.021 . . . . 0.0 112.874 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -74.7 -47.54 30.92 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.377 1.871 . . . . 0.0 113.731 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 124.479 1.112 . . . . 0.0 111.493 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -43.84 -57.85 3.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.943 2.097 . . . . 0.0 111.818 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.2 -45.64 23.31 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.803 1.641 . . . . 0.0 112.786 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.33 86.96 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-N 119.667 1.121 . . . . 0.0 113.912 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -82.03 -48.82 10.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.4 mt -57.02 -52.93 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.058 0.943 . . . . 0.0 112.256 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -52.51 -50.62 62.42 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.596 0.712 . . . . 0.0 111.426 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.6 m -61.11 -26.52 67.73 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.253 1.421 . . . . 0.0 114.228 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.13 -32.38 61.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.817 2.047 . . . . 0.0 112.902 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -68.41 -34.74 76.54 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.982 -0.449 . . . . 0.0 110.57 170.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.31 -64.43 0.86 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -121.3 69.29 20.7 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.077 1.751 . . . . 0.0 113.393 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -64.71 -8.84 18.74 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.858 2.372 . . . . 0.0 113.875 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -62.47 -35.3 78.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.744 1.617 . . . . 0.0 113.079 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -97.16 24.34 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.711 1.604 . . . . 0.0 112.364 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.3 p -30.32 -48.88 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.786 2.435 . . . . 0.0 114.165 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.85 -41.05 99.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.764 2.026 . . . . 0.0 111.738 -178.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.04 -31.18 23.57 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.499 1.12 . . . . 0.0 111.998 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.27 -42.64 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.694 0.797 . . . . 0.0 109.947 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.23 -44.18 97.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.546 0.739 . . . . 0.0 111.457 170.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.01 74.7 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.15 0.886 . . . . 0.0 113.196 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.2 -51.32 54.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.37 1.068 . . . . 0.0 112.573 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.8 75.24 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 117.945 0.339 . . . . 0.0 111.618 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.49 -51.69 54.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.343 1.057 . . . . 0.0 111.406 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -60.63 -41.06 94.15 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.749 1.219 . . . . 0.0 113.03 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.09 -27.8 60.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.985 0.514 . . . . 0.0 112.337 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.09 -35.81 76.9 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.091 -1.006 . . . . 0.0 111.073 166.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -38.45 90.61 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.191 1.397 . . . . 0.0 114.113 173.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.1 65.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.772 1.629 . . . . 0.0 113.169 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -112.72 -6.63 13.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.461 1.104 . . . . 0.0 111.93 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.923 0 C-N-CA 126.415 1.886 . . . . 0.0 112.843 171.791 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.79 -52.6 49.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.535 1.134 . . . . 0.0 112.409 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.31 -27.99 69.0 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -66.98 -50.92 60.75 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.763 1.225 . . . . 0.0 112.747 168.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.75 72.81 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.153 0.888 . . . . 0.0 112.833 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -70.68 -52.35 21.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.392 1.477 . . . . 0.0 109.889 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -49.57 -44.78 47.13 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 166.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -69.69 -40.43 76.37 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.894 1.278 . . . . 0.0 113.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.79 -39.69 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.759 1.224 . . . . 0.0 110.878 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.84 -26.89 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.409 1.083 . . . . 0.0 112.922 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -21.94 61.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.7 114.63 38.42 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 119.982 1.264 . . . . 0.0 111.478 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.63 -29.66 0.74 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.25 2.633 . . . . 0.0 114.482 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.83 -11.02 59.85 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.416 -0.803 . . . . 0.0 111.028 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.31 130.26 39.35 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.986 1.714 . . . . 0.0 110.645 172.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 p -79.37 156.71 27.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.363 0.665 . . . . 0.0 112.784 168.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.37 -33.34 72.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 111.361 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -69.13 -31.99 71.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.424 1.49 . . . . 0.0 114.623 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.42 -43.69 31.7 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.1 1.36 . . . . 0.0 111.308 170.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -51.02 -49.08 61.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.932 2.093 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -45.14 -45.94 11.61 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.398 1.879 . . . . 0.0 113.912 172.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.97 72.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-N 119.29 0.95 . . . . 0.0 114.079 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.12 -49.39 6.78 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -56.59 -50.99 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.58 1.082 . . . . 0.0 111.576 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.93 -47.6 84.47 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.304 0.574 . . . . 0.0 111.687 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.8 m -55.99 -33.91 65.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.764 1.626 . . . . 0.0 113.724 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -41.09 87.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.373 1.869 . . . . 0.0 111.912 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -65.56 -34.47 78.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.603 -0.685 . . . . 0.0 111.455 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -75.5 -46.04 34.68 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.911 1.284 . . . . 0.0 113.546 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -141.1 77.42 20.48 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.788 1.635 . . . . 0.0 115.138 -174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.99 -9.65 26.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.926 2.417 . . . . 0.0 114.482 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -64.24 -15.3 59.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.867 1.267 . . . . 0.0 114.32 173.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.54 23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.211 1.404 . . . . 0.0 110.777 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -51.86 -34.87 42.81 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.277 1.399 . . . . 0.0 113.793 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.04 82.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.376 1.07 . . . . 0.0 111.976 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.63 -35.87 57.79 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.94 1.696 . . . . 0.0 110.536 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.14 -41.66 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.973 1.309 . . . . 0.0 110.414 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.21 -44.49 95.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.493 0.717 . . . . 0.0 110.673 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.9 83.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.014 0.526 . . . . 0.0 112.238 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.31 -43.45 81.65 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.1 -1.0 . . . . 0.0 113.652 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.765 0.317 . . . . 0.0 111.146 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.24 -44.32 72.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.383 1.073 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.94 -45.08 93.77 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 127.557 2.343 . . . . 0.0 112.464 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.62 -33.73 64.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.049 0.539 . . . . 0.0 112.133 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.71 -33.73 75.7 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.988 0.813 . . . . 0.0 111.088 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.13 -35.99 74.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.89 62.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.882 1.273 . . . . 0.0 113.308 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -106.97 0.03 23.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.396 1.078 . . . . 0.0 112.726 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 125.218 1.407 . . . . 0.0 112.773 168.382 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -53.84 -58.18 8.2 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.592 -0.692 . . . . 0.0 111.708 164.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -64.36 -25.4 68.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.633 1.106 . . . . 0.0 113.958 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -61.72 -69.48 0.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.913 1.285 . . . . 0.0 112.055 164.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -60.8 -23.86 65.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -176.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.57 -58.21 3.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.974 1.71 . . . . 0.0 111.209 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.03 -44.36 64.18 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 170.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.67 -47.04 82.84 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.821 0.848 . . . . 0.0 112.401 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.17 -36.58 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.427 0.558 . . . . 0.0 110.93 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.78 -23.13 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 170.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.29 -28.75 18.57 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.75 121.11 32.21 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.53 1.132 . . . . 0.0 112.885 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.15 -35.9 3.72 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.425 2.75 . . . . 0.0 115.915 -160.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -87.64 -5.34 58.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.704 1.202 . . . . 0.0 112.032 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.34 134.8 39.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.557 1.543 . . . . 0.0 110.404 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 p -74.26 154.8 38.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.181 0.515 . . . . 0.0 112.018 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.46 -29.49 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.224 -0.298 . . . . 0.0 111.615 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -68.02 -55.31 13.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.213 1.405 . . . . 0.0 113.667 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -55.0 -42.77 72.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.183 0.993 . . . . 0.0 111.507 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -42.66 -52.19 4.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.489 1.516 . . . . 0.0 112.31 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -55.06 -42.58 72.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.214 0.915 . . . . 0.0 112.585 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.36 -6.65 49.15 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -111.18 -47.55 3.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 168.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.7 -48.43 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.89 1.276 . . . . 0.0 111.069 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -58.6 -51.92 67.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.085 0.469 . . . . 0.0 111.748 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 m -54.69 -32.62 59.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.622 1.169 . . . . 0.0 113.334 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 12' ' ' ALA . 15.2 tp -69.77 -31.97 70.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.535 1.134 . . . . 0.0 113.803 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.85 -35.92 81.15 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.835 -0.54 . . . . 0.0 110.477 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.31 -45.5 14.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.137 1.375 . . . . 0.0 113.967 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -133.14 59.2 40.38 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.244 1.818 . . . . 0.0 113.494 -169.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -59.27 -18.55 45.59 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.33 3.354 . . . . 0.0 114.6 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -64.44 -19.7 65.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.635 1.561 . . . . 0.0 113.101 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -101.39 23.47 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.878 -1.139 . . . . 0.0 111.9 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -46.5 -41.57 14.29 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.896 -1.127 . . . . 0.0 113.661 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.94 -36.7 82.17 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.609 2.364 . . . . 0.0 111.977 179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.2 -36.27 24.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.661 1.585 . . . . 0.0 111.049 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.16 -38.94 72.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.382 1.473 . . . . 0.0 110.517 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.01 -48.88 79.87 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.933 0.893 . . . . 0.0 110.219 167.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.06 -40.75 81.81 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.63 -47.8 79.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.4 87.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.892 0.477 . . . . 0.0 111.64 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.06 -45.19 67.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.813 1.245 . . . . 0.0 111.953 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.75 -47.73 84.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 172.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.44 -29.96 67.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.188 0.904 . . . . 0.0 112.094 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.52 -38.19 88.95 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.233 -0.917 . . . . 0.0 111.295 167.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -35.02 74.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.64 61.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.382 1.473 . . . . 0.0 113.216 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -115.33 3.92 14.3 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.233 1.413 . . . . 0.0 112.066 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 125.769 1.628 . . . . 0.0 111.529 163.822 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.09 -54.15 42.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.504 -0.748 . . . . 0.0 112.249 174.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -32.39 73.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.335 0.654 . . . . 0.0 111.741 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.19 -57.93 8.9 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.177 1.391 . . . . 0.0 112.07 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -31.41 66.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -68.37 -57.88 5.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.609 1.564 . . . . 0.0 113.302 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -44.81 27.54 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 166.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -64.21 -44.09 93.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.421 1.088 . . . . 0.0 113.23 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.44 -30.79 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.704 1.202 . . . . 0.0 111.935 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.34 -32.86 74.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.15 0.98 . . . . 0.0 112.534 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.19 -24.68 57.86 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.86 119.5 69.88 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.225 1.01 . . . . 0.0 112.314 -168.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.89 -35.28 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.953 2.435 . . . . 0.0 114.979 -166.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -78.86 -22.3 46.24 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.212 0.914 . . . . 0.0 112.528 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.05 141.1 51.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.126 2.171 . . . . 0.0 111.273 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -91.01 160.01 15.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 173.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.53 -33.79 74.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.805 0.812 . . . . 0.0 111.816 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.21 -43.34 98.41 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.079 1.351 . . . . 0.0 112.823 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.71 -49.77 64.97 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 111.785 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -51.82 -54.19 31.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.162 1.785 . . . . 0.0 111.337 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -37.34 74.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.211 1.404 . . . . 0.0 111.392 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.82 96.9 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.056 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -82.71 -47.27 12.18 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.204 1.502 . . . . 0.0 107.271 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.42 -51.67 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.579 0.752 . . . . 0.0 111.365 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -59.76 -46.16 90.03 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 122.035 0.922 . . . . 0.0 111.092 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -57.48 -30.91 65.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.181 1.393 . . . . 0.0 114.018 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.53 82.43 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.065 1.346 . . . . 0.0 111.513 172.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.91 -44.14 66.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.026 0.93 . . . . 0.0 110.991 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -64.84 -44.1 90.9 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -136.79 64.09 48.63 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 114.494 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.0 -14.02 40.94 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.242 1.961 . . . . 0.0 113.364 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.9 p -54.13 -26.39 27.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.512 1.125 . . . . 0.0 113.309 169.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.3 23.61 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.413 1.485 . . . . 0.0 112.309 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -42.25 -44.9 3.98 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.999 1.319 . . . . 0.0 113.758 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.79 -36.24 80.51 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.043 2.537 . . . . 0.0 112.241 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -88.51 -33.79 17.65 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.838 1.255 . . . . 0.0 111.381 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.58 -37.96 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.382 1.073 . . . . 0.0 110.581 175.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.64 -46.68 86.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.3 0.64 . . . . 0.0 110.884 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.26 72.35 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.71 -55.09 16.67 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.703 1.601 . . . . 0.0 113.48 169.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.24 75.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.669 0.388 . . . . 0.0 111.968 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -68.72 -50.67 48.89 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.098 0.959 . . . . 0.0 111.517 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -46.1 77.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.059 1.344 . . . . 0.0 112.251 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.98 -26.79 63.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.078 -1.014 . . . . 0.0 113.538 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.41 -38.71 71.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.547 1.067 . . . . 0.0 111.085 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.64 -35.09 74.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.19 66.72 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 112.337 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -99.53 -13.61 19.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.719 1.208 . . . . 0.0 112.642 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.934 0 C-N-CA 125.134 1.374 . . . . 0.0 112.543 169.31 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.99 -51.22 71.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.688 0.395 . . . . 0.0 111.159 172.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.86 -31.96 73.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.085 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -59.07 -63.17 1.4 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.681 1.192 . . . . 0.0 111.309 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.29 71.24 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.03 -55.5 14.14 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.475 1.11 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -51.78 -45.97 63.98 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 167.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.5 -37.74 88.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.252 1.421 . . . . 0.0 113.318 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.6 mt -69.52 -44.11 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.482 1.113 . . . . 0.0 111.048 172.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.8 -18.1 64.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.137 1.375 . . . . 0.0 114.123 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -79.63 -21.82 44.37 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.558 1.543 . . . . 0.0 113.562 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.89 112.79 22.01 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 119.655 1.116 . . . . 0.0 111.221 -170.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.76 -30.79 5.8 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.964 2.442 . . . . 0.0 114.108 -165.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -84.25 -11.12 57.0 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.043 -1.036 . . . . 0.0 112.661 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.12 135.37 50.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.41 1.484 . . . . 0.0 111.46 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.254 3.8 p -73.44 151.94 40.94 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -67.63 -20.78 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.317 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.25 -47.89 25.96 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.743 1.617 . . . . 0.0 113.492 167.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.2 -42.1 90.13 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.701 1.2 . . . . 0.0 111.843 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -49.75 -52.47 31.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.702 1.601 . . . . 0.0 111.602 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -57.52 -33.0 67.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.331 1.852 . . . . 0.0 112.368 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.16 -45.22 88.24 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 125.391 1.472 . . . . 0.0 113.123 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.77 -47.2 9.97 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.13 -47.74 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.126 0.875 . . . . 0.0 111.839 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -46.21 88.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -65.05 -26.03 68.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -41.14 97.53 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.978 1.311 . . . . 0.0 112.06 169.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.24 -41.25 94.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.77 0.828 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -64.35 -53.27 51.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -131.45 65.46 76.22 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 115.603 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -60.9 -15.92 41.55 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.195 2.597 . . . . 0.0 115.255 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 m -62.48 -21.69 65.67 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.5 1.12 . . . . 0.0 113.657 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -109.16 23.66 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 113.078 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -41.3 -41.82 2.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.146 1.378 . . . . 0.0 114.567 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.13 -37.19 84.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.335 2.654 . . . . 0.0 112.506 -179.352 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -80.23 -38.67 30.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.841 0.856 . . . . 0.0 111.978 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.19 -39.97 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 110.517 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.74 -43.77 98.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.716 171.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.99 81.02 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.35 -47.48 73.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 113.22 172.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.45 85.97 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.084 0.402 . . . . 0.0 111.06 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.81 -45.38 78.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.236 1.014 . . . . 0.0 111.686 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -60.56 -46.89 88.53 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.902 1.681 . . . . 0.0 112.905 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.78 -22.65 60.8 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.544 -0.723 . . . . 0.0 112.835 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.51 -36.81 76.8 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.68 -0.637 . . . . 0.0 111.263 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.55 -29.59 68.18 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.45 65.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 113.535 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -116.44 -9.48 11.45 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 112.345 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 C-N-CA 126.875 2.07 . . . . 0.0 113.504 168.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.13 -55.21 37.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.765 -0.584 . . . . 0.0 111.719 170.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.47 -28.5 69.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.737 0.415 . . . . 0.0 111.959 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.56 -67.85 0.32 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.056 1.342 . . . . 0.0 112.085 164.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.46 64.14 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.17 -58.93 3.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.613 1.565 . . . . 0.0 112.538 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.02 -43.94 63.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -59.2 -41.85 89.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.892 0.877 . . . . 0.0 112.827 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.6 -28.31 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.623 1.169 . . . . 0.0 111.911 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.72 -20.33 61.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.131 . . . . 0.0 113.473 167.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -85.29 -15.2 44.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.878 1.271 . . . . 0.0 113.203 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.77 121.28 80.68 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 120.637 1.562 . . . . 0.0 111.644 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.56 -31.28 2.07 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.405 2.736 . . . . 0.0 114.67 -167.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -88.7 -28.18 20.73 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.022 0.828 . . . . 0.0 112.712 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.01 139.03 53.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.205 1.802 . . . . 0.0 112.211 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 p -80.45 153.72 28.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.11 -28.22 67.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.002 1.321 . . . . 0.0 111.976 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.88 -50.14 25.64 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.751 1.62 . . . . 0.0 112.747 171.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.6 -41.94 91.48 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.026 0.93 . . . . 0.0 112.049 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -49.63 -46.08 49.05 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.272 1.429 . . . . 0.0 111.708 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -54.64 -40.84 69.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 112.985 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.75 -21.81 71.4 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.098 -0.834 . . . . 0.0 114.685 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -96.87 -47.17 5.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 173.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.43 -47.81 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.246 1.018 . . . . 0.0 112.244 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -52.75 -51.98 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.249 0.547 . . . . 0.0 111.794 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -28.87 69.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.33 -26.87 66.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.772 1.169 . . . . 0.0 113.355 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -72.34 -42.91 64.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.288 0.635 . . . . 0.0 110.483 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -73.97 -49.27 25.26 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.339 2.256 . . . . 0.0 116.191 -176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -125.51 63.34 44.31 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 128.466 2.706 . . . . 0.0 114.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -57.91 -20.1 42.84 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.336 2.69 . . . . 0.0 114.186 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -69.04 -18.47 64.03 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.933 -1.104 . . . . 0.0 113.591 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.26 10.7 m -101.09 26.53 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.594 1.158 . . . . 0.0 112.719 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -37.32 -42.98 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.18 1.792 . . . . 0.0 114.33 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.85 87.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.087 1.755 . . . . 0.0 111.76 -177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.45 -36.56 38.66 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.449 1.5 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.93 -42.36 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.484 1.114 . . . . 0.0 110.237 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.08 -49.84 74.36 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.056 0.942 . . . . 0.0 111.351 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.81 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.852 0.861 . . . . 0.0 113.063 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.52 -46.97 58.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.32 84.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.199 0.454 . . . . 0.0 111.287 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -46.37 72.92 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.852 1.261 . . . . 0.0 111.954 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.97 -47.02 87.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 112.511 174.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.43 -27.06 62.09 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -70.58 -35.14 72.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.114 0.87 . . . . 0.0 111.384 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.47 -34.67 78.46 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.11 77.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.342 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -91.87 0.71 57.47 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.045 0.938 . . . . 0.0 113.012 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 126.4 1.88 . . . . 0.0 111.422 163.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -52.25 -53.84 38.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.47 0.708 . . . . 0.0 112.491 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.95 -38.85 87.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.354 0.525 . . . . 0.0 112.156 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.63 -47.26 73.16 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.089 1.356 . . . . 0.0 112.576 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 45' ' ' LEU . . . -66.43 -28.89 68.96 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.016 0.913 . . . . 0.0 112.363 178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -72.23 -53.55 12.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 112.04 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -48.2 -45.9 34.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 166.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.76 -36.73 67.64 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.795 1.238 . . . . 0.0 112.848 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -79.1 -40.58 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 110.854 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.22 -24.5 67.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.481 1.112 . . . . 0.0 113.961 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -97.09 2.94 51.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.59 124.39 87.82 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.592 1.087 . . . . 0.0 111.236 174.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.53 -33.95 0.84 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.064 2.51 . . . . 0.0 115.35 -168.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -87.49 -21.33 25.55 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.237 0.926 . . . . 0.0 112.438 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 134.41 56.97 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.584 1.554 . . . . 0.0 111.884 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -78.82 159.31 27.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -54.86 -37.57 66.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.135 0.574 . . . . 0.0 111.09 172.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.37 -43.89 38.8 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.821 1.248 . . . . 0.0 112.581 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.23 -45.01 92.3 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.134 0.974 . . . . 0.0 112.043 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -50.59 -46.91 58.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.186 1.395 . . . . 0.0 111.38 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -49.02 -44.89 41.82 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.362 1.865 . . . . 0.0 113.518 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.08 -26.75 74.44 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-N 119.338 0.972 . . . . 0.0 113.823 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.71 -49.12 7.34 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -53.39 -53.67 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.338 1.055 . . . . 0.0 111.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -45.13 94.56 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.045 -0.409 . . . . 0.0 110.794 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -60.45 -32.0 70.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 tp -64.68 -34.78 79.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.343 1.057 . . . . 0.0 112.604 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.04 -38.72 82.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.504 0.722 . . . . 0.0 111.456 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.25 -46.37 56.26 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -132.22 71.32 79.76 Favored Pre-proline 0 CA--C 1.549 0.94 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -65.06 -14.32 44.58 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.4 2.067 . . . . 0.0 113.401 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -64.25 -22.96 67.13 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.306 1.442 . . . . 0.0 112.984 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -106.57 27.37 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.646 1.578 . . . . 0.0 112.679 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.2 p -42.12 -41.0 2.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.803 1.241 . . . . 0.0 113.664 175.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.11 -43.13 82.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.785 2.034 . . . . 0.0 111.552 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.67 -36.7 51.01 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.407 1.083 . . . . 0.0 112.704 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -70.23 -39.09 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.536 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 12' ' ' ALA . 6.0 mp -59.56 -48.58 81.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.161 0.985 . . . . 0.0 110.256 168.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.81 80.85 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.527 0.603 . . . . 0.0 112.517 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.6 -49.87 55.97 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.08 -39.04 77.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.433 0.635 . . . . 0.0 110.748 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -73.59 -41.93 62.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.027 1.331 . . . . 0.0 112.981 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.71 -47.88 83.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.895 1.678 . . . . 0.0 111.749 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.14 -34.29 70.87 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.644 0.778 . . . . 0.0 112.617 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -64.71 -32.07 73.58 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.064 -1.022 . . . . 0.0 111.079 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.69 -29.06 61.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.3 59.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.014 0.925 . . . . 0.0 112.947 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -98.86 -3.82 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.69 1.196 . . . . 0.0 112.652 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 126.754 2.021 . . . . 0.0 111.177 164.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -56.31 -54.83 40.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.947 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.68 -35.57 78.37 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.048 1.294 . . . . 0.0 112.489 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.02 -61.27 2.67 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.044 1.738 . . . . 0.0 112.802 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.86 71.91 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -69.08 -53.83 18.27 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.025 1.33 . . . . 0.0 111.688 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.38 -42.55 70.49 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 116.069 1.878 . . . . 0.0 116.069 168.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -67.4 -34.14 76.65 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 44' ' ' ILE . 42.0 mt -68.13 -40.66 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.942 169.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.4 -21.97 66.81 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.379 1.072 . . . . 0.0 113.23 172.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -84.68 -3.09 58.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.813 2.045 . . . . 0.0 114.498 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.45 109.1 33.85 Favored Pre-proline 0 CA--C 1.549 0.934 0 O-C-N 120.845 -1.159 . . . . 0.0 111.76 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.95 -29.57 14.92 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.453 2.769 . . . . 0.0 114.343 -168.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.05 -6.26 54.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.077 0.951 . . . . 0.0 112.312 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.81 136.15 46.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.575 1.55 . . . . 0.0 110.301 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -74.63 152.14 39.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.432 0.56 . . . . 0.0 112.238 166.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -27.63 69.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.408 -0.182 . . . . 0.0 111.436 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.78 -44.59 61.36 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -57.07 -44.2 82.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.986 0.914 . . . . 0.0 111.136 170.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -50.73 -50.51 55.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.577 1.951 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -50.11 -43.56 51.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.859 1.664 . . . . 0.0 112.576 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -19.53 71.93 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.607 -1.107 . . . . 0.0 114.717 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -94.51 -49.5 5.63 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.179 1.489 . . . . 0.0 107.712 172.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.56 -47.74 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.452 0.701 . . . . 0.0 110.919 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.16 -47.46 83.31 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 m -58.95 -34.72 72.08 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -25.49 66.76 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.049 0.939 . . . . 0.0 113.53 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -72.03 -40.55 68.33 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.74 0.816 . . . . 0.0 111.227 170.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.4 -52.28 11.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.769 1.628 . . . . 0.0 114.631 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -126.11 61.07 38.96 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.344 2.258 . . . . 0.0 114.433 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -61.3 -12.1 22.19 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.116 3.21 . . . . 0.0 115.289 -172.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -68.26 -32.67 73.01 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.618 1.553 . . . . 0.0 112.042 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.27 23.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 120.786 -1.196 . . . . 0.0 112.958 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.6 p -40.76 -39.03 1.01 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.202 1.801 . . . . 0.0 114.025 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.53 -47.48 85.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.227 1.811 . . . . 0.0 110.632 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.85 -40.82 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.726 1.21 . . . . 0.0 111.77 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 16' ' ' ILE . 32.7 mm -63.09 -37.07 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.859 -0.525 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.04 -45.44 77.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.147 0.979 . . . . 0.0 112.583 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.2 80.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.897 0.771 . . . . 0.0 111.218 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.92 -45.77 48.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.36 72.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.038 0.381 . . . . 0.0 110.852 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -69.51 -50.53 44.27 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.032 0.933 . . . . 0.0 111.709 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.0 ttpt -53.29 -48.11 68.63 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 112.368 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 16.7 mt -70.3 -36.26 74.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.18 0.592 . . . . 0.0 112.417 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.24 -38.44 83.44 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.279 0.945 . . . . 0.0 111.131 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.15 -26.71 42.74 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.8 70.93 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.375 0.67 . . . . 0.0 111.924 167.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.19 -4.81 55.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.981 0.912 . . . . 0.0 113.344 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 126.866 2.067 . . . . 0.0 113.904 168.86 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.29 -54.68 37.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.566 0.747 . . . . 0.0 111.629 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.02 -29.65 70.05 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.024 -172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.74 -57.22 13.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.97 1.708 . . . . 0.0 111.968 167.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.22 69.44 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -75.97 -53.54 8.23 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.012 1.325 . . . . 0.0 111.143 -174.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.04 -41.93 60.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 166.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -68.96 -42.87 76.04 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.76 -31.62 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.234 1.014 . . . . 0.0 111.534 174.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.34 -34.23 74.94 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.966 0.906 . . . . 0.0 112.512 166.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.58 -15.05 59.0 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.81 118.33 71.02 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 120.356 1.434 . . . . 0.0 112.111 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.98 -31.29 1.05 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.154 2.569 . . . . 0.0 115.048 -168.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -85.08 -3.06 58.66 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.332 0.969 . . . . 0.0 112.482 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 142.05 40.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.284 1.834 . . . . 0.0 110.615 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 p -77.76 154.34 32.07 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.569 1.077 . . . . 0.0 112.115 166.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.03 -29.65 70.78 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 122.151 -0.343 . . . . 0.0 111.3 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.27 -42.95 65.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.051 1.74 . . . . 0.0 112.798 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -57.65 -44.2 85.46 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -54.28 -54.32 41.83 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.665 1.186 . . . . 0.0 111.449 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -53.4 -41.46 65.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.203 1.001 . . . . 0.0 110.688 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -43.97 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.317 -1.269 . . . . 0.0 114.374 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -84.26 -45.86 12.43 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.83 1.815 . . . . 0.0 107.73 178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.2 mt -54.66 -47.93 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.065 0.546 . . . . 0.0 110.997 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.53 -55.48 28.7 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.308 0.575 . . . . 0.0 112.199 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.4 m -58.53 -28.75 65.75 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -44.49 95.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.074 1.75 . . . . 0.0 111.546 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.45 -40.27 86.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.661 0.785 . . . . 0.0 111.401 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.59 -38.11 55.38 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -132.12 59.94 47.71 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.0 -10.05 27.19 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.811 2.341 . . . . 0.0 115.281 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -77.01 -2.09 32.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.878 1.271 . . . . 0.0 113.475 171.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.0 27.37 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.417 1.087 . . . . 0.0 111.802 167.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -53.38 -34.11 56.36 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.021 -1.049 . . . . 0.0 113.372 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -41.85 93.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.591 0.756 . . . . 0.0 112.317 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -79.49 -34.49 41.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.216 1.406 . . . . 0.0 110.41 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.4 -39.06 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.521 1.528 . . . . 0.0 110.929 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.83 -49.88 74.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.449 0.699 . . . . 0.0 109.743 165.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.29 75.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.389 0.676 . . . . 0.0 112.818 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.94 -50.78 70.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.321 0.964 . . . . 0.0 113.516 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.54 75.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.806 0.443 . . . . 0.0 111.635 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -73.06 -46.03 53.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.392 1.477 . . . . 0.0 112.524 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 12.5 ttpt -58.1 -48.08 81.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.431 1.892 . . . . 0.0 111.93 172.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 11.5 mt -70.11 -35.95 74.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.418 0.687 . . . . 0.0 112.23 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -61.01 -36.86 80.62 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.05 0.841 . . . . 0.0 110.931 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.35 -32.03 66.14 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.39 -21.8 55.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.754 1.222 . . . . 0.0 113.669 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -100.07 -8.89 23.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.99 0.916 . . . . 0.0 112.373 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 125.837 1.655 . . . . 0.0 113.659 171.404 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.22 -51.86 64.57 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.923 1.289 . . . . 0.0 112.221 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.69 -28.94 70.29 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.66 -59.23 5.21 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.384 1.074 . . . . 0.0 112.351 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.04 68.4 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.71 -56.35 6.6 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -49.11 -49.34 42.41 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 165.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -61.58 -41.34 97.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.6 mt -71.54 -39.17 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 111.762 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.57 -31.08 71.12 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.281 -0.887 . . . . 0.0 112.682 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.97 -7.49 56.88 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.06 118.89 75.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 120.609 -1.307 . . . . 0.0 110.912 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.71 -30.95 2.72 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.232 2.621 . . . . 0.0 115.353 -166.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -89.2 -18.22 27.53 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.802 1.183 . . . . 0.0 113.354 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.62 132.82 53.63 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.95 1.7 . . . . 0.0 111.16 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -74.65 151.13 39.34 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.994 -0.441 . . . . 0.0 110.704 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.0 -27.01 67.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.878 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -60.54 -52.56 64.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.555 1.942 . . . . 0.0 111.783 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.05 -46.63 85.08 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.149 1.38 . . . . 0.0 111.732 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -54.27 -53.1 58.32 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 110.554 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -36.85 38.67 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.435 1.894 . . . . 0.0 113.478 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.28 -43.04 99.65 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 121.189 -0.944 . . . . 0.0 113.069 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -80.56 -49.49 11.26 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -57.8 -48.18 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.793 0.837 . . . . 0.0 111.894 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -44.73 94.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.389 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -64.05 -25.72 68.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -30.87 71.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 119.672 1.124 . . . . 0.0 112.406 169.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -76.58 -27.28 55.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.826 1.251 . . . . 0.0 112.002 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -79.9 -51.56 8.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.477 1.511 . . . . 0.0 112.249 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -132.12 66.54 77.66 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 126.566 1.947 . . . . 0.0 114.756 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.36 -9.73 24.98 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.85 2.367 . . . . 0.0 115.906 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -77.53 -18.13 57.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.549 1.522 . . . . 0.0 113.617 169.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.291 6.2 m -93.65 20.78 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 120.974 -1.079 . . . . 0.0 112.68 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -45.01 -43.43 9.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.243 1.417 . . . . 0.0 112.388 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -59.34 -47.14 86.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.365 2.266 . . . . 0.0 110.541 178.489 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.52 -29.96 52.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.893 1.277 . . . . 0.0 111.808 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -75.94 -40.42 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.885 1.674 . . . . 0.0 110.58 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.21 -45.94 89.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.089 0.956 . . . . 0.0 110.845 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.9 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.368 0.667 . . . . 0.0 112.778 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.43 -53.37 57.46 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.49 1.516 . . . . 0.0 112.139 174.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.73 79.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.385 0.674 . . . . 0.0 111.818 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -70.71 -45.46 64.89 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.948 0.899 . . . . 0.0 112.059 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -60.79 -44.14 97.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.391 1.477 . . . . 0.0 112.11 171.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.51 -25.6 62.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.01 -37.83 78.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.023 0.829 . . . . 0.0 111.61 166.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.31 -37.99 84.25 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -20.48 65.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.94 0.896 . . . . 0.0 112.317 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -107.87 3.63 24.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.545 1.138 . . . . 0.0 112.682 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.965 0 C-N-CA 125.74 1.616 . . . . 0.0 112.362 170.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' CG ' ' HB3' ' A' ' 38' ' ' PRO . 81.3 mt-30 -55.35 -55.14 34.95 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.517 0.599 . . . . 0.0 112.09 171.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -61.71 -30.99 71.11 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -61.72 -64.08 1.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.767 2.027 . . . . 0.0 112.309 167.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.87 69.73 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.79 -55.31 15.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.746 1.618 . . . . 0.0 110.806 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.64 -43.41 62.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.636 2.088 . . . . 0.0 116.636 168.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -66.59 -40.15 88.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.914 1.286 . . . . 0.0 113.804 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.86 -40.19 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.534 1.133 . . . . 0.0 110.833 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -20.62 63.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.621 1.168 . . . . 0.0 113.627 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.05 -17.35 52.97 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.11 118.21 71.33 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.302 0.955 . . . . 0.0 111.743 -171.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.84 -38.45 0.36 Allowed 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.07 2.513 . . . . 0.0 114.836 -167.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -79.59 -10.9 59.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.156 0.982 . . . . 0.0 113.011 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.86 137.76 57.96 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.292 1.037 . . . . 0.0 110.296 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.3 2.9 p -73.67 151.24 40.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.27 -14.91 29.86 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.046 1.338 . . . . 0.0 113.026 173.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.03 -55.25 3.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.893 1.677 . . . . 0.0 112.653 165.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -50.83 -42.28 58.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.084 1.353 . . . . 0.0 113.028 -172.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -49.71 -53.17 26.3 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.507 1.523 . . . . 0.0 111.615 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.75 -29.39 69.36 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.72 2.008 . . . . 0.0 111.392 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.94 -43.5 95.88 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 119.534 1.061 . . . . 0.0 114.025 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.74 -44.39 33.35 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.03 -45.08 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.164 0.586 . . . . 0.0 111.755 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -51.5 -52.28 48.08 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.902 -0.499 . . . . 0.0 111.941 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -59.57 -30.23 68.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.503 1.521 . . . . 0.0 114.14 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.0 -25.8 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.829 2.052 . . . . 0.0 113.533 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -70.01 -34.27 73.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.06 0.544 . . . . 0.0 111.393 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -76.35 -52.22 10.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.019 2.528 . . . . 0.0 116.506 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -130.15 68.66 81.32 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HB3' ' CG ' ' A' ' 9' ' ' GLN . 44.7 Cg_endo -60.69 -18.41 55.25 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.306 2.67 . . . . 0.0 115.355 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -53.33 -35.35 60.1 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.025 -1.047 . . . . 0.0 113.042 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -97.72 23.55 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.469 1.107 . . . . 0.0 112.025 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.5 m -44.97 -37.97 4.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.679 1.192 . . . . 0.0 113.704 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.35 95.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.351 1.461 . . . . 0.0 111.843 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.75 -32.31 23.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.928 1.291 . . . . 0.0 110.615 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -66.64 -39.71 84.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.52 -0.738 . . . . 0.0 110.537 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.63 -41.93 98.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.922 0.889 . . . . 0.0 111.625 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.64 99.12 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.189 0.596 . . . . 0.0 111.484 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.98 -40.17 75.51 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.1 95.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.499 0.59 . . . . 0.0 111.045 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -65.0 -49.25 70.95 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.83 0.852 . . . . 0.0 112.5 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -32.57 70.73 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.28 -28.86 61.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.811 1.187 . . . . 0.0 113.127 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.54 -39.51 85.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.476 1.035 . . . . 0.0 111.209 168.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -31.15 71.09 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 114.301 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.52 64.95 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.354 -0.841 . . . . 0.0 112.973 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -101.33 -11.09 19.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.211 1.004 . . . . 0.0 112.899 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.003 0 C-N-CA 126.823 2.049 . . . . 0.0 112.098 163.84 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.89 -46.13 89.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.593 0.757 . . . . 0.0 112.148 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -60.07 -31.01 69.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.18 -51.86 33.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 112.455 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.64 73.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.747 . . . . 0.0 112.363 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.86 -52.91 37.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.653 1.581 . . . . 0.0 111.569 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.6 -45.77 38.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.78 -39.84 91.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.741 1.616 . . . . 0.0 113.997 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.56 -39.49 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.115 1.366 . . . . 0.0 111.71 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.34 -27.27 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.062 0.945 . . . . 0.0 113.412 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -79.47 -11.23 59.91 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.87 126.5 86.96 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 119.644 1.111 . . . . 0.0 112.721 -170.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.23 -32.59 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.049 2.5 . . . . 0.0 115.231 -169.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -88.93 -18.12 28.15 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.99 1.268 . . . . 0.0 112.555 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.08 133.84 52.5 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.225 1.41 . . . . 0.0 111.875 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.257 3.8 p -74.55 151.05 39.5 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.05 -21.95 66.73 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.4 175.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.29 -46.26 34.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.861 2.064 . . . . 0.0 113.848 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.16 -41.9 98.75 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.554 1.142 . . . . 0.0 111.773 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -49.81 -48.6 50.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.015 1.726 . . . . 0.0 111.865 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -53.01 -39.62 63.27 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 127.542 2.337 . . . . 0.0 112.476 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.33 -34.12 74.18 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 120.386 1.448 . . . . 0.0 114.378 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.79 -48.28 13.84 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.92 -50.41 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.82 0.448 . . . . 0.0 110.534 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -53.32 -53.64 48.05 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.334 0.587 . . . . 0.0 111.527 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -57.85 -29.81 65.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.585 1.154 . . . . 0.0 113.901 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -31.54 72.47 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.796 2.039 . . . . 0.0 112.729 172.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -72.53 -30.49 64.51 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.136 0.975 . . . . 0.0 111.309 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.07 -56.38 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -125.15 67.87 55.75 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -172.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -65.39 -12.61 35.7 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.353 2.035 . . . . 0.0 114.562 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -10.46 54.24 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.798 -1.189 . . . . 0.0 112.783 171.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -114.57 23.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.515 1.526 . . . . 0.0 113.425 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -38.92 -46.39 1.31 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.761 1.624 . . . . 0.0 114.179 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -40.12 79.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.5 1.92 . . . . 0.0 111.942 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.19 -29.11 21.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.883 1.273 . . . . 0.0 113.047 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -71.33 -38.88 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.03 0.932 . . . . 0.0 110.249 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.02 -44.55 94.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.014 0.526 . . . . 0.0 111.144 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.15 80.89 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.669 0.668 . . . . 0.0 112.775 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.41 -49.67 70.63 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.184 -0.947 . . . . 0.0 113.382 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.49 73.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -74.24 -43.75 55.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.785 1.234 . . . . 0.0 112.865 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.5 ttpt -57.52 -47.94 80.63 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.588 1.955 . . . . 0.0 112.412 169.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 10.9 mt -72.89 -31.77 64.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.451 0.7 . . . . 0.0 112.546 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.1 -36.23 82.91 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.507 -0.746 . . . . 0.0 110.552 166.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.4 -31.08 65.24 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.81 -22.27 61.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.624 1.17 . . . . 0.0 113.247 173.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.62 4.33 32.64 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.426 1.09 . . . . 0.0 112.704 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 C-N-CA 125.907 1.683 . . . . 0.0 112.956 169.324 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.45 152.42 43.1 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -117.02 -19.49 9.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.847 1.659 . . . . 0.0 113.501 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -145.16 154.33 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.925 1.69 . . . . 0.0 111.61 -162.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -76.77 -168.49 1.04 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -131.12 159.47 37.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.376 1.87 . . . . 0.0 109.636 165.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -60.6 -35.6 76.51 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -165.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.19 -37.4 23.68 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.612 1.096 . . . . 0.0 111.141 174.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -54.76 -52.68 61.82 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.929 0.892 . . . . 0.0 112.121 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -61.46 -36.5 80.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.901 0.773 . . . . 0.0 112.529 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.27 -55.32 36.41 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.769 1.228 . . . . 0.0 111.475 173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.3 75.21 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -74.28 -50.87 17.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.773 1.229 . . . . 0.0 109.037 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.83 -48.31 59.92 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 165.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.58 -41.55 99.01 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.753 0.821 . . . . 0.0 113.154 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.72 -35.99 57.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.93 0.892 . . . . 0.0 111.285 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.25 -32.52 73.95 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.392 1.077 . . . . 0.0 112.844 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -72.85 -17.99 61.49 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.643 1.177 . . . . 0.0 113.831 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.46 119.71 78.34 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.024 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.56 -35.37 0.58 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.408 2.739 . . . . 0.0 115.373 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -81.72 0.43 38.95 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.997 1.271 . . . . 0.0 113.125 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.56 142.61 35.55 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.644 1.577 . . . . 0.0 110.565 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -86.58 159.48 19.23 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.68 -2.37 1.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.54 1.936 . . . . 0.0 113.198 170.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.29 -49.52 3.34 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.572 1.949 . . . . 0.0 113.484 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -57.51 -44.25 84.88 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 125.164 1.386 . . . . 0.0 111.442 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.71 -53.47 38.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.026 1.33 . . . . 0.0 111.146 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -56.24 -38.24 70.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.43 1.492 . . . . 0.0 111.39 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.02 -30.79 74.41 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 119.627 1.103 . . . . 0.0 114.748 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.99 -48.83 7.47 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.12 -49.5 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.043 0.838 . . . . 0.0 112.28 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -55.16 -49.15 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 121.878 0.847 . . . . 0.0 111.502 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -60.33 -28.28 68.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.597 1.959 . . . . 0.0 113.874 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -42.71 78.74 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.787 2.035 . . . . 0.0 111.524 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.91 -37.92 83.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.667 0.787 . . . . 0.0 111.12 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -66.9 -47.33 72.13 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -137.57 70.86 52.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 125.738 1.615 . . . . 0.0 115.295 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -63.69 -20.15 68.49 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.543 2.162 . . . . 0.0 115.228 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -58.41 -26.94 63.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.731 1.212 . . . . 0.0 113.058 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m -102.02 20.67 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.155 1.382 . . . . 0.0 112.826 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.1 m -48.15 -39.13 19.78 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.54 -40.35 74.97 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.506 1.922 . . . . 0.0 112.232 176.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -88.3 -29.05 20.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.233 1.413 . . . . 0.0 111.615 -173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -69.13 -38.47 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 0.0 110.26 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.83 -44.62 90.96 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.133 0.973 . . . . 0.0 111.555 170.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.01 69.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.59 -48.06 57.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 114.054 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.49 86.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.074 0.397 . . . . 0.0 111.292 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -63.58 -48.68 76.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.206 1.002 . . . . 0.0 111.337 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -61.44 -43.81 98.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.43 1.892 . . . . 0.0 112.585 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.74 -31.95 65.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.302 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -64.15 -37.43 87.44 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.288 0.949 . . . . 0.0 111.249 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.77 -26.56 64.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 114.92 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.31 63.79 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.141 -0.974 . . . . 0.0 112.478 171.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -98.31 -4.55 34.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 167.29 6.83 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 127.056 2.143 . . . . 0.0 113.304 164.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.83 170.43 2.03 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 125.189 3.926 . . . . 0.0 113.886 165.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.253 1.258 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.474 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 121.076 0.465 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.275 97.1 m-20 -82.42 46.99 1.1 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.73 -24.67 67.02 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.999 0.92 . . . . 0.0 112.361 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -114.04 138.59 50.18 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.985 1.714 . . . . 0.0 111.874 163.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -87.49 159.51 18.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -106.52 161.05 14.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.469 1.908 . . . . 0.0 110.653 172.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -57.85 -39.84 78.71 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -164.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -70.31 -43.23 70.78 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.609 0.64 . . . . 0.0 112.238 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -55.98 -54.69 41.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.243 1.017 . . . . 0.0 111.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.41 -34.92 78.8 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.028 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -56.76 17.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.066 1.346 . . . . 0.0 112.738 171.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.51 -29.52 69.64 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -69.73 -55.85 8.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.978 1.311 . . . . 0.0 111.585 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -52.41 -47.04 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 168.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.12 -44.49 87.77 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.609 -0.682 . . . . 0.0 112.155 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.62 -35.55 73.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.963 1.305 . . . . 0.0 111.821 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.49 -28.72 70.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.947 0.899 . . . . 0.0 112.981 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -92.51 -7.53 47.08 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.13 123.59 89.68 Favored Pre-proline 0 CA--C 1.553 1.083 0 CA-C-N 120.003 1.274 . . . . 0.0 112.411 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -85.82 -34.52 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.651 3.568 . . . . 0.0 116.1 -167.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -84.77 -13.07 52.32 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 111.84 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.08 139.61 57.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.251 1.82 . . . . 0.0 110.932 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -76.62 153.56 35.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 166.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.2 -29.94 70.12 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 173.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -71.41 -48.37 50.17 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.268 1.027 . . . . 0.0 112.447 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -53.44 -42.18 66.84 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.609 1.164 . . . . 0.0 111.437 169.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -54.74 -50.63 67.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.294 1.438 . . . . 0.0 111.888 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -54.77 -41.82 70.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 110.344 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.35 11.3 1.59 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 126.659 2.076 . . . . 0.0 116.176 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -129.82 -42.07 1.29 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 1.414 . . . . 0.0 107.745 161.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -54.49 -47.48 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.383 0.992 . . . . 0.0 111.187 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -48.97 79.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -57.73 -34.79 69.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.264 1.425 . . . . 0.0 113.139 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.11 -40.38 78.39 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.362 1.865 . . . . 0.0 111.914 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -64.16 -42.54 96.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.455 0.702 . . . . 0.0 111.178 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -62.48 -37.77 87.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -143.0 68.61 18.06 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.877 1.271 . . . . 0.0 114.333 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.06 -15.01 46.83 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.181 2.587 . . . . 0.0 112.926 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -75.04 -4.91 41.19 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.042 1.337 . . . . 0.0 114.041 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.53 28.74 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.302 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -49.49 -35.32 19.5 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.319 1.048 . . . . 0.0 113.26 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -38.51 79.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.928 1.291 . . . . 0.0 111.872 176.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -88.16 -30.79 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.433 1.493 . . . . 0.0 112.445 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -70.0 -37.86 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 123.495 0.718 . . . . 0.0 110.648 169.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.23 -47.96 83.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.308 0.643 . . . . 0.0 110.58 166.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.25 -37.83 70.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.669 0.668 . . . . 0.0 112.707 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.96 -56.45 15.09 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.717 1.207 . . . . 0.0 113.143 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.77 78.25 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.831 0.453 . . . . 0.0 111.057 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -69.04 -46.33 68.18 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.395 1.078 . . . . 0.0 111.751 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.88 -45.86 92.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.739 1.616 . . . . 0.0 112.146 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.3 -34.37 74.59 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.983 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -65.75 -35.68 81.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.086 0.857 . . . . 0.0 111.519 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -71.5 -32.95 68.79 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.111 0.965 . . . . 0.0 112.247 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.38 -11.98 59.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.123 1.369 . . . . 0.0 114.313 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -110.52 2.89 19.07 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.897 1.279 . . . . 0.0 113.179 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 155.66 28.21 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 126.704 2.002 . . . . 0.0 112.982 165.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -67.2 159.81 50.44 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.807 3.004 . . . . 0.0 114.5 -174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 128.1 2.56 . . . . 0.0 112.72 -175.178 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.147 0.498 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -61.28 142.86 56.54 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.726 -0.609 . . . . 0.0 111.816 164.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.85 -47.0 61.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.857 -1.152 . . . . 0.0 112.555 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -89.33 129.55 35.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.112 0.965 . . . . 0.0 110.716 166.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.92 141.38 51.14 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -74.54 168.15 20.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.508 1.523 . . . . 0.0 110.708 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -55.28 -32.4 62.37 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 116.396 1.998 . . . . 0.0 116.396 -168.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -86.42 -40.77 15.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.215 1.406 . . . . 0.0 112.841 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.07 -50.25 74.03 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.499 1.52 . . . . 0.0 111.926 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.99 -26.36 68.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.157 0.983 . . . . 0.0 112.532 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -72.59 -55.01 7.56 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.838 0.855 . . . . 0.0 111.336 170.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -35.96 75.6 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.73 -54.48 15.85 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.109 1.364 . . . . 0.0 112.004 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -39.03 60.13 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 167.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.71 -42.37 74.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.179 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.84 -30.62 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.027 1.331 . . . . 0.0 111.704 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.65 -39.99 95.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.982 0.913 . . . . 0.0 112.15 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -71.79 -15.0 62.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.85 115.86 53.7 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 119.295 0.952 . . . . 0.0 110.585 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.0 -37.9 0.51 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.634 2.223 . . . . 0.0 114.694 -166.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -79.74 -20.46 46.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.093 0.957 . . . . 0.0 112.866 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.46 137.63 23.54 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.348 1.459 . . . . 0.0 110.078 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.33 2.0 p -75.26 149.65 38.78 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 173.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -66.63 -13.3 60.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.196 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -79.59 -56.44 4.3 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.696 1.599 . . . . 0.0 113.52 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -54.83 -41.38 70.62 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.194 1.397 . . . . 0.0 112.365 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -48.57 -50.21 33.32 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.842 1.257 . . . . 0.0 111.712 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.19 -30.11 66.17 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 127.199 2.2 . . . . 0.0 112.216 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 -39.73 76.9 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 120.092 1.315 . . . . 0.0 113.53 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -80.03 -43.44 21.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.39 -50.26 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.202 0.91 . . . . 0.0 110.248 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -53.74 -53.38 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.406 0.622 . . . . 0.0 111.434 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -55.08 -32.65 62.12 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.107 1.363 . . . . 0.0 113.72 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -43.73 71.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.337 1.855 . . . . 0.0 111.556 174.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -61.5 -35.33 77.39 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.288 0.635 . . . . 0.0 110.785 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -70.34 -49.17 52.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.59 1.156 . . . . 0.0 113.674 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -139.76 73.42 34.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.42 -12.64 36.53 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.327 2.018 . . . . 0.0 114.861 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -72.55 -11.09 60.51 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.179 1.354 . . . . 0.0 113.789 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.11 23.09 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.135 1.374 . . . . 0.0 112.954 172.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -52.48 -31.93 37.39 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 120.902 -1.124 . . . . 0.0 113.741 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -47.79 76.08 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.129 2.171 . . . . 0.0 111.604 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -78.32 -31.23 48.63 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.77 1.628 . . . . 0.0 111.791 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.6 mm -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.922 0.889 . . . . 0.0 110.871 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.85 -45.74 89.37 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.7 0.8 . . . . 0.0 110.801 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.55 86.76 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.09 -50.99 71.03 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.425 -0.797 . . . . 0.0 112.814 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.82 83.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.841 0.456 . . . . 0.0 111.566 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -68.5 -48.6 64.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.895 0.878 . . . . 0.0 111.725 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -60.67 -43.8 97.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.399 1.879 . . . . 0.0 112.617 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.9 -30.09 66.34 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.112 0.869 . . . . 0.0 112.489 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -68.77 -35.74 77.44 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.243 -0.911 . . . . 0.0 111.618 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.87 -28.09 63.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.306 1.042 . . . . 0.0 113.395 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.25 93.72 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.156 -0.965 . . . . 0.0 111.076 170.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -99.57 2.9 45.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.126 0.97 . . . . 0.0 113.331 -168.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . . . -50.05 158.79 0.88 Allowed Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 126.582 1.953 . . . . 0.0 114.161 168.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 56' ' ' ALA . 61.0 Cg_exo -55.87 156.16 20.34 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 123.878 3.052 . . . . 0.0 114.867 -173.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt . . . . . 0 C--O 1.25 1.083 0 C-N-CA 125.778 1.631 . . . . 0.0 112.863 -175.108 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -69.95 153.79 42.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -75.11 -35.77 61.7 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.778 -0.576 . . . . 0.0 111.856 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -104.85 169.57 8.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.863 2.065 . . . . 0.0 111.593 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -72.59 155.13 40.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -84.8 158.96 20.54 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.516 1.127 . . . . 0.0 109.076 166.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -54.06 -50.34 66.97 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 120.531 1.514 . . . . 0.0 112.836 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -66.66 -27.31 67.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.683 1.593 . . . . 0.0 112.833 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -72.55 -54.51 8.99 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.346 1.058 . . . . 0.0 111.648 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -63.67 -34.63 78.27 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.673 0.669 . . . . 0.0 112.34 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.32 -51.5 69.68 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.264 0.483 . . . . 0.0 111.648 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.73 74.42 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -68.71 -54.84 13.72 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.282 1.433 . . . . 0.0 114.056 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.61 -44.09 65.8 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 166.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.97 -41.31 97.59 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.66 -34.79 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.122 1.369 . . . . 0.0 111.504 174.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.53 -35.55 80.85 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.642 1.177 . . . . 0.0 112.679 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -69.88 -18.73 63.43 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.226 1.01 . . . . 0.0 113.533 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt -75.44 115.14 42.73 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.388 1.075 . . . . 0.0 111.396 -173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.29 -33.16 0.57 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.031 2.487 . . . . 0.0 115.542 -166.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -80.66 -20.3 43.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.155 0.889 . . . . 0.0 112.026 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.88 140.21 43.34 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.514 1.525 . . . . 0.0 110.298 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -81.77 149.67 28.28 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.53 -32.41 67.05 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.77 0.795 . . . . 0.0 110.471 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -67.72 -48.51 66.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.07 2.148 . . . . 0.0 113.996 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -61.28 -39.91 92.18 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.47 1.108 . . . . 0.0 112.034 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm105 -54.78 -43.49 72.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.344 1.058 . . . . 0.0 111.842 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -50.14 -39.97 44.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.845 2.058 . . . . 0.0 112.916 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.63 -29.92 74.35 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 119.456 1.025 . . . . 0.0 114.55 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.16 -46.47 9.73 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.23 -48.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.715 0.806 . . . . 0.0 110.997 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -54.38 -54.46 40.32 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.995 0.426 . . . . 0.0 111.939 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -57.26 -31.84 65.98 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.345 1.058 . . . . 0.0 113.85 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -36.57 84.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.745 1.218 . . . . 0.0 112.061 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.19 -45.32 81.24 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.385 -0.822 . . . . 0.0 110.527 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -66.33 -51.98 51.78 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -125.87 63.45 47.54 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.193 1.797 . . . . 0.0 113.717 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -62.11 -18.59 62.72 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.975 2.45 . . . . 0.0 113.966 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.0 p -68.73 -6.11 24.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.818 2.047 . . . . 0.0 115.414 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.23 26.3 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.327 1.451 . . . . 0.0 112.1 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -51.89 -33.08 35.25 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.609 -1.307 . . . . 0.0 113.606 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.75 75.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.718 1.607 . . . . 0.0 112.319 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.79 -27.08 20.23 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.124 1.37 . . . . 0.0 111.233 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -73.87 -42.58 53.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.58 1.152 . . . . 0.0 110.9 170.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.26 -41.12 83.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.704 0.801 . . . . 0.0 110.941 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.49 82.81 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.708 . . . . 0.0 112.447 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.97 -46.47 65.15 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.283 1.033 . . . . 0.0 113.509 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.75 80.97 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.155 0.434 . . . . 0.0 110.393 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.16 -53.04 51.04 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.074 0.95 . . . . 0.0 111.99 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -29.29 69.2 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -77.78 -31.09 51.71 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.314 0.961 . . . . 0.0 113.59 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -66.54 -38.38 87.02 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.905 1.23 . . . . 0.0 110.984 167.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.72 -29.78 69.11 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.073 1.749 . . . . 0.0 114.519 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.95 55.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.53 1.132 . . . . 0.0 113.836 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -100.92 -7.75 23.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.674 1.189 . . . . 0.0 112.969 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 167.72 6.94 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.239 1.816 . . . . 0.0 112.535 165.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.8 141.04 95.59 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 123.89 3.06 . . . . 0.0 113.573 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.076 0.951 . . . . 0.0 113.002 174.69 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 119.108 -0.472 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -65.87 133.45 50.96 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 168.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -135.55 -5.61 2.25 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.962 2.105 . . . . 0.0 113.513 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -150.32 138.11 19.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.218 2.207 . . . . 0.0 111.754 -173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -66.11 162.92 18.6 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 -169.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -85.67 164.0 17.93 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.377 1.471 . . . . 0.0 111.42 166.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -21.53 65.24 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 -164.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -95.38 -33.05 12.65 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.814 1.188 . . . . 0.0 112.343 167.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -54.08 -53.79 48.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.759 0.709 . . . . 0.0 111.749 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.59 -33.07 70.99 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.56 0.618 . . . . 0.0 112.369 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -66.63 -60.61 2.56 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.984 1.714 . . . . 0.0 113.099 172.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.0 70.65 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.83 -56.41 12.04 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.684 1.594 . . . . 0.0 112.533 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -41.93 63.67 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 168.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.86 -40.33 91.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.77 1.228 . . . . 0.0 113.015 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.35 -40.62 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 119.667 1.121 . . . . 0.0 111.054 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.78 -23.72 66.38 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.129 0.972 . . . . 0.0 112.981 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -78.3 -10.78 59.81 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.23 127.22 69.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.214 -175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -87.71 -36.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.694 2.929 . . . . 0.0 115.065 -172.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -80.1 -18.63 49.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.305 -0.872 . . . . 0.0 112.0 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.5 135.25 57.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.417 1.487 . . . . 0.0 110.419 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.288 2.5 p -76.89 152.52 35.36 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 174.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.85 -24.98 60.0 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 172.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.14 -45.83 15.83 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.44 1.896 . . . . 0.0 112.102 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.38 -44.23 92.8 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.825 1.25 . . . . 0.0 112.82 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -44.65 -48.62 10.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.919 1.688 . . . . 0.0 111.393 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -55.27 -41.39 72.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.124 1.77 . . . . 0.0 113.156 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.1 -28.34 72.72 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.103 -0.998 . . . . 0.0 114.456 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -90.93 -49.44 6.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.96 -49.28 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.227 1.011 . . . . 0.0 111.686 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -44.1 97.9 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -60.21 -32.56 71.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.294 1.038 . . . . 0.0 112.751 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -27.99 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.8 1.64 . . . . 0.0 113.564 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -71.55 -41.0 69.65 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.85 0.86 . . . . 0.0 110.831 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -70.69 -52.37 21.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.868 2.067 . . . . 0.0 115.631 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -129.64 63.89 69.72 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 126.65 1.98 . . . . 0.0 115.223 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -61.03 -13.8 29.63 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.395 2.73 . . . . 0.0 113.635 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -60.06 -17.66 41.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 113.048 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.23 26.61 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.964 1.705 . . . . 0.0 113.232 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.6 p -43.57 -41.08 4.34 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.763 1.225 . . . . 0.0 113.712 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -61.65 -35.08 76.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.728 2.411 . . . . 0.0 112.213 -179.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -86.63 -35.42 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.376 1.07 . . . . 0.0 112.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.67 -40.56 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.657 0.783 . . . . 0.0 111.174 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.98 -43.91 98.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.338 0.655 . . . . 0.0 110.833 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.98 85.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.76 -45.51 67.91 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.147 0.979 . . . . 0.0 113.192 173.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.44 75.15 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.195 0.452 . . . . 0.0 110.823 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.89 -53.18 34.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.437 1.095 . . . . 0.0 112.22 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -22.62 64.96 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.48 -28.13 31.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.983 0.913 . . . . 0.0 113.373 169.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.31 -39.55 74.73 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.218 -0.926 . . . . 0.0 111.393 167.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.09 -34.61 78.82 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.585 1.954 . . . . 0.0 109.985 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.25 -23.52 57.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -104.99 -1.62 25.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.493 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 151.67 30.1 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 126.055 1.742 . . . . 0.0 114.114 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -77.11 171.61 17.57 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 125.015 3.81 . . . . 0.0 113.698 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttp . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.144 1.378 . . . . 0.0 113.679 162.295 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -76.71 96.89 4.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.161 0.984 . . . . 0.0 110.695 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -106.83 -27.95 10.43 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.808 1.243 . . . . 0.0 113.861 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -154.78 140.17 17.73 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.606 1.563 . . . . 0.0 111.627 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -89.56 168.15 12.39 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -91.05 166.35 13.04 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.863 -0.523 . . . . 0.0 111.009 165.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -65.38 -12.98 57.44 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -172.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -101.1 -37.91 8.38 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -56.33 -51.58 67.73 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.795 0.838 . . . . 0.0 111.947 170.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.17 -25.1 65.08 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.28 -65.65 0.65 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.117 1.767 . . . . 0.0 111.696 167.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.78 68.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.73 -55.5 7.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.208 1.003 . . . . 0.0 111.009 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -52.65 -42.99 65.18 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.61 -51.01 70.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.654 1.182 . . . . 0.0 112.949 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.69 -31.27 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.793 1.237 . . . . 0.0 111.372 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 41.7 mt -62.69 -33.55 75.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.766 0.827 . . . . 0.0 113.025 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.37 -27.11 38.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -173.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.9 mt -63.1 120.63 63.13 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 119.157 0.89 . . . . 0.0 112.408 -166.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.63 -41.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.959 2.439 . . . . 0.0 115.321 -166.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.58 -19.81 51.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.403 0.681 . . . . 0.0 111.5 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.36 133.63 56.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.375 1.87 . . . . 0.0 110.616 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -73.44 153.81 40.23 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.231 -0.293 . . . . 0.0 111.621 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -66.12 -27.12 67.81 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.283 0.563 . . . . 0.0 111.13 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -67.9 -48.78 65.07 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.162 1.785 . . . . 0.0 113.427 174.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.41 -44.29 88.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.851 1.261 . . . . 0.0 110.854 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 23.5 ttm-85 -51.39 -50.85 58.8 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.227 1.411 . . . . 0.0 111.247 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -53.05 -44.55 67.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.742 1.217 . . . . 0.0 111.595 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.33 -22.34 63.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.803 1.192 . . . . 0.0 115.875 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.49 -47.24 5.74 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.427 1.613 . . . . 0.0 106.651 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.35 -50.48 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.886 1.221 . . . . 0.0 111.809 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -53.73 -54.01 44.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.544 0.338 . . . . 0.0 111.827 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -61.61 -22.92 65.66 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -43.18 80.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 120.284 1.402 . . . . 0.0 111.651 167.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.19 -41.75 99.24 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 121.42 -0.8 . . . . 0.0 110.943 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.47 -47.84 45.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.521 1.528 . . . . 0.0 114.623 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -131.11 60.7 54.89 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.484 1.914 . . . . 0.0 115.858 -175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.09 -16.0 51.6 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.213 2.609 . . . . 0.0 114.477 -173.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -68.48 -14.59 63.11 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.721 -1.237 . . . . 0.0 113.547 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.51 25.5 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.451 1.1 . . . . 0.0 112.483 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.8 p -45.35 -38.26 5.65 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.766 1.227 . . . . 0.0 113.873 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -46.66 82.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.313 1.845 . . . . 0.0 110.672 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.71 -32.94 53.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.984 1.714 . . . . 0.0 112.765 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.52 -41.3 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.057 0.943 . . . . 0.0 110.252 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.55 -40.8 97.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.524 0.73 . . . . 0.0 111.433 169.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.46 91.18 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.259 0.936 . . . . 0.0 112.156 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.29 -44.31 65.44 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.372 1.069 . . . . 0.0 112.942 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.71 77.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.677 0.671 . . . . 0.0 111.38 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -69.04 -52.54 27.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.399 1.08 . . . . 0.0 112.443 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -29.08 69.82 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.729 1.15 . . . . 0.0 113.633 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -29.91 44.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.748 1.158 . . . . 0.0 113.215 171.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -69.65 -45.87 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.929 1.241 . . . . 0.0 111.002 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.1 -21.43 56.68 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.33 -40.51 70.69 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.968 -0.457 . . . . 0.0 111.948 164.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -81.92 -3.71 54.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.879 0.872 . . . . 0.0 113.197 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 148.47 97.95 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.909 1.683 . . . . 0.0 111.75 162.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -62.86 145.95 94.81 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 124.163 3.242 . . . . 0.0 113.18 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt . . . . . 0 C--O 1.255 1.362 0 C-N-CA 126.488 1.915 . . . . 0.0 113.209 -171.644 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.862 0.363 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.53 165.51 16.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -71.69 -7.35 47.47 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -83.67 161.02 21.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.038 1.335 . . . . 0.0 113.149 174.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -141.35 173.83 11.12 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -83.9 164.01 19.69 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 110.22 163.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -56.2 -56.23 23.51 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.868 1.267 . . . . 0.0 114.395 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.67 -35.21 80.28 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.326 1.05 . . . . 0.0 111.814 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -61.96 -53.52 54.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.457 0.571 . . . . 0.0 112.176 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -66.19 -33.12 75.04 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.322 0.965 . . . . 0.0 112.604 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.82 -55.45 32.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.134 0.974 . . . . 0.0 112.648 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.54 73.37 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.77 -55.29 13.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.192 1.797 . . . . 0.0 113.469 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.32 -43.84 64.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 166.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -66.44 -38.78 88.16 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.68 -40.94 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 124.379 1.072 . . . . 0.0 110.76 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.51 -22.98 67.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.766 1.226 . . . . 0.0 113.815 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -20.83 60.88 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.23 119.47 76.54 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.069 0.947 . . . . 0.0 112.043 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.72 -36.58 0.58 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.72 2.947 . . . . 0.0 114.907 -167.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.46 -21.24 28.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.075 0.95 . . . . 0.0 111.161 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.07 135.82 57.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.847 2.059 . . . . 0.0 111.237 173.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 p -80.96 152.9 27.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -53.74 -37.01 62.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.48 0.712 . . . . 0.0 110.881 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.81 -50.13 58.48 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.226 1.01 . . . . 0.0 112.976 177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.13 -43.62 78.38 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.245 1.018 . . . . 0.0 111.933 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -53.64 -48.61 69.22 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.519 1.128 . . . . 0.0 111.852 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -55.63 -37.23 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.624 1.57 . . . . 0.0 111.28 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.57 -19.83 75.05 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 119.944 1.247 . . . . 0.0 115.805 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.19 -47.37 6.67 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.24 -48.25 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.278 0.945 . . . . 0.0 111.372 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -53.92 -51.73 62.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.118 0.961 . . . . 0.0 111.846 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 m -58.47 -31.24 67.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.811 1.644 . . . . 0.0 113.436 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -31.02 71.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.718 1.607 . . . . 0.0 112.228 172.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -72.27 -39.18 68.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.234 1.014 . . . . 0.0 111.666 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -68.69 -60.35 2.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.995 1.318 . . . . 0.0 113.527 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -123.23 62.49 21.17 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -170.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -66.06 -7.6 17.55 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.64 2.226 . . . . 0.0 113.703 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -63.53 -11.17 22.06 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.362 1.465 . . . . 0.0 114.527 163.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -121.66 24.72 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.863 1.665 . . . . 0.0 112.436 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 p -40.18 -45.16 1.98 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.605 1.562 . . . . 0.0 114.424 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -56.33 -44.05 79.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 128.938 2.895 . . . . 0.0 111.233 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.27 -31.06 25.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.444 1.497 . . . . 0.0 112.076 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -69.2 -40.04 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.488 0.715 . . . . 0.0 110.493 173.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 -43.42 84.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.425 0.69 . . . . 0.0 110.691 166.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.2 86.29 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.172 0.589 . . . . 0.0 112.571 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.65 -43.03 77.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.516 1.053 . . . . 0.0 113.518 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.03 85.32 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.871 0.305 . . . . 0.0 110.894 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -66.55 -52.31 47.09 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.271 1.028 . . . . 0.0 112.485 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -26.36 66.77 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.86 -35.18 57.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.197 0.908 . . . . 0.0 112.578 168.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.4 -37.29 86.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.522 1.056 . . . . 0.0 111.616 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.38 -35.0 78.45 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.492 1.117 . . . . 0.0 111.154 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.37 -32.91 72.25 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.35 -2.42 56.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.055 1.342 . . . . 0.0 113.378 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.73 154.65 91.23 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.989 1.315 . . . . 0.0 112.718 171.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.49 167.43 26.39 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.389 3.393 . . . . 0.0 112.288 167.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 123.591 0.756 . . . . 0.0 112.774 170.17 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.19 140.67 52.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -139.18 -3.22 1.58 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.796 1.638 . . . . 0.0 114.487 163.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -162.1 137.07 7.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.028 1.731 . . . . 0.0 111.128 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 31.2 m-85 -74.93 167.97 20.86 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -89.08 162.1 16.17 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.586 1.554 . . . . 0.0 111.256 164.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -60.94 -47.87 84.42 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -170.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.81 -37.25 70.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.433 0.693 . . . . 0.0 112.164 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -53.75 -57.11 12.03 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.502 -0.761 . . . . 0.0 111.835 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -57.64 -36.08 71.37 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.909 0.777 . . . . 0.0 113.027 -174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.42 -59.62 4.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.229 1.412 . . . . 0.0 113.449 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.65 70.04 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.91 -56.52 7.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.619 1.968 . . . . 0.0 113.018 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -41.43 62.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.89 -37.01 83.58 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.3 mt -68.25 -39.03 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 111.374 173.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.88 -22.35 66.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.845 1.258 . . . . 0.0 113.631 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -73.65 -27.55 61.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.42 1.488 . . . . 0.0 113.998 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.13 125.52 87.82 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.097 0.959 . . . . 0.0 112.633 -163.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -81.9 -34.72 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.688 2.925 . . . . 0.0 115.275 -171.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -84.67 -18.33 35.68 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.596 1.089 . . . . 0.0 112.653 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.22 137.79 58.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.685 1.594 . . . . 0.0 111.063 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 p -85.7 154.55 21.57 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -63.45 -21.38 66.27 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -70.77 -51.11 29.16 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.598 -1.314 . . . . 0.0 113.669 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -60.34 -48.84 80.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.669 1.188 . . . . 0.0 112.002 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -49.65 -55.85 12.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.627 1.571 . . . . 0.0 111.644 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -29.98 44.81 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.624 1.97 . . . . 0.0 113.072 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.26 -41.73 37.45 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.472 1.033 . . . . 0.0 113.845 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -76.56 -43.49 38.75 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 mt -56.41 -48.06 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 110.419 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -53.47 -54.05 42.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 120.943 0.401 . . . . 0.0 111.596 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -58.24 -29.88 66.09 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.84 -29.12 66.3 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.516 1.053 . . . . 0.0 113.449 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -69.93 -42.24 73.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.328 0.651 . . . . 0.0 110.809 171.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.86 -47.6 37.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.768 1.627 . . . . 0.0 114.111 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -133.02 61.61 57.05 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 127.192 2.197 . . . . 0.0 114.714 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -58.47 -16.7 30.61 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 123.362 2.708 . . . . 0.0 113.796 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -57.05 -30.69 64.47 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.218 1.407 . . . . 0.0 113.385 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.88 23.26 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.549 1.14 . . . . 0.0 112.818 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -46.28 -37.09 6.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.98 -38.44 76.09 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.21 2.204 . . . . 0.0 112.168 175.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -85.35 -33.97 21.91 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.648 1.179 . . . . 0.0 111.798 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -67.61 -41.95 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.098 -1.001 . . . . 0.0 111.083 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.94 -47.36 85.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.227 0.467 . . . . 0.0 110.307 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.87 77.3 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.18 -48.98 66.31 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.273 1.029 . . . . 0.0 113.657 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.12 85.66 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.199 0.524 . . . . 0.0 111.514 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.67 -45.85 64.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.275 1.03 . . . . 0.0 111.737 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -57.24 -50.26 73.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.131 1.772 . . . . 0.0 112.117 170.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.56 -24.76 61.98 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.031 0.832 . . . . 0.0 112.657 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -69.32 -34.62 74.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.14 0.882 . . . . 0.0 111.37 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.76 -32.55 62.09 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.946 0.879 . . . . 0.0 112.643 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.15 69.18 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.132 0.973 . . . . 0.0 112.13 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -100.21 1.96 42.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.945 1.298 . . . . 0.0 113.218 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.97 169.37 6.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 126.77 2.028 . . . . 0.0 112.064 164.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -59.13 161.94 15.05 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.153 3.235 . . . . 0.0 114.194 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 pttp . . . . . 0 C--O 1.256 1.41 0 CA-C-O 116.093 -1.908 . . . . 0.0 113.891 -178.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 119.783 -0.151 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -90.47 148.56 22.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.014 1.326 . . . . 0.0 113.427 168.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -124.81 -21.74 4.69 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 151.61 26.97 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.03 1.732 . . . . 0.0 112.134 168.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -62.07 157.92 17.8 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -81.63 158.25 24.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.285 0.634 . . . . 0.0 109.904 167.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.19 -40.92 97.67 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.779 1.172 . . . . 0.0 112.678 -174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -68.56 -34.29 75.57 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.852 1.261 . . . . 0.0 112.812 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -64.34 -58.61 6.0 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.975 0.91 . . . . 0.0 111.413 171.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.89 -36.27 76.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.509 -172.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -58.16 -57.91 10.78 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 172.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -25.67 67.35 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -73.33 -56.63 4.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.798 1.639 . . . . 0.0 112.528 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -39.57 71.65 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 116.828 2.159 . . . . 0.0 116.828 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -60.66 -45.82 92.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.859 0.864 . . . . 0.0 112.621 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.51 -37.31 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.966 1.307 . . . . 0.0 111.291 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.64 -19.54 40.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.329 1.052 . . . . 0.0 113.491 172.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -98.9 -7.83 26.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -69.37 124.98 91.62 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 120.413 1.461 . . . . 0.0 111.059 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -87.99 -30.56 0.25 Allowed 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.078 2.519 . . . . 0.0 115.75 -165.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -85.74 -22.26 27.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.842 -1.161 . . . . 0.0 111.402 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.02 133.86 55.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.06 2.144 . . . . 0.0 111.596 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -78.26 154.44 30.98 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -26.68 63.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.252 1.021 . . . . 0.0 112.874 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -74.7 -47.54 30.92 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.377 1.871 . . . . 0.0 113.731 171.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 124.479 1.112 . . . . 0.0 111.493 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -43.84 -57.85 3.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.943 2.097 . . . . 0.0 111.818 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.2 -45.64 23.31 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.803 1.641 . . . . 0.0 112.786 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.33 86.96 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-N 119.667 1.121 . . . . 0.0 113.912 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -82.03 -48.82 10.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.4 mt -57.02 -52.93 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.058 0.943 . . . . 0.0 112.256 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -52.51 -50.62 62.42 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.596 0.712 . . . . 0.0 111.426 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.6 m -61.11 -26.52 67.73 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.253 1.421 . . . . 0.0 114.228 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.13 -32.38 61.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.817 2.047 . . . . 0.0 112.902 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -68.41 -34.74 76.54 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.982 -0.449 . . . . 0.0 110.57 170.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.31 -64.43 0.86 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -121.3 69.29 20.7 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.077 1.751 . . . . 0.0 113.393 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -64.71 -8.84 18.74 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.858 2.372 . . . . 0.0 113.875 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -62.47 -35.3 78.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.744 1.617 . . . . 0.0 113.079 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -97.16 24.34 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.711 1.604 . . . . 0.0 112.364 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.3 p -30.32 -48.88 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.786 2.435 . . . . 0.0 114.165 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.557 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.85 -41.05 99.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.764 2.026 . . . . 0.0 111.738 -178.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.04 -31.18 23.57 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.499 1.12 . . . . 0.0 111.998 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.27 -42.64 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.694 0.797 . . . . 0.0 109.947 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.23 -44.18 97.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.546 0.739 . . . . 0.0 111.457 170.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.01 74.7 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.15 0.886 . . . . 0.0 113.196 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.2 -51.32 54.91 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.37 1.068 . . . . 0.0 112.573 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.8 75.24 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 117.945 0.339 . . . . 0.0 111.618 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.49 -51.69 54.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.343 1.057 . . . . 0.0 111.406 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -60.63 -41.06 94.15 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.749 1.219 . . . . 0.0 113.03 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.09 -27.8 60.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.985 0.514 . . . . 0.0 112.337 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.09 -35.81 76.9 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.091 -1.006 . . . . 0.0 111.073 166.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -38.45 90.61 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.191 1.397 . . . . 0.0 114.113 173.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.1 65.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.772 1.629 . . . . 0.0 113.169 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -112.72 -6.63 13.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.461 1.104 . . . . 0.0 111.93 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 147.85 94.37 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 126.415 1.886 . . . . 0.0 112.843 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.34 150.14 81.02 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.647 3.565 . . . . 0.0 112.941 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.949 1.7 . . . . 0.0 112.686 174.68 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.363 91.6 m-20 56.77 26.69 11.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.11 -37.2 84.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.243 1.417 . . . . 0.0 113.812 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.86 149.97 36.09 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.239 1.016 . . . . 0.0 113.55 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.53 168.65 19.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.148 2.179 . . . . 0.0 116.506 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -88.42 166.8 13.99 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.281 1.033 . . . . 0.0 111.559 167.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.73 -40.64 93.12 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.17 -37.69 72.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.108 0.963 . . . . 0.0 111.853 174.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.79 -52.6 49.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.535 1.134 . . . . 0.0 112.409 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.31 -27.99 69.0 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -66.98 -50.92 60.75 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.763 1.225 . . . . 0.0 112.747 168.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.75 72.81 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.153 0.888 . . . . 0.0 112.833 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -70.68 -52.35 21.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.392 1.477 . . . . 0.0 109.889 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -49.57 -44.78 47.13 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 166.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -69.69 -40.43 76.37 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.894 1.278 . . . . 0.0 113.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.79 -39.69 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.759 1.224 . . . . 0.0 110.878 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -62.84 -26.89 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.409 1.083 . . . . 0.0 112.922 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -21.94 61.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.7 114.63 38.42 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 119.982 1.264 . . . . 0.0 111.478 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.63 -29.66 0.74 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.25 2.633 . . . . 0.0 114.482 -169.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.83 -11.02 59.85 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.416 -0.803 . . . . 0.0 111.028 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.31 130.26 39.35 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 125.986 1.714 . . . . 0.0 110.645 172.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 p -79.37 156.71 27.84 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.363 0.665 . . . . 0.0 112.784 168.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.37 -33.34 72.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 111.361 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -69.13 -31.99 71.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.424 1.49 . . . . 0.0 114.623 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.42 -43.69 31.7 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.1 1.36 . . . . 0.0 111.308 170.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -51.02 -49.08 61.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.932 2.093 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -45.14 -45.94 11.61 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.398 1.879 . . . . 0.0 113.912 172.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.97 72.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-N 119.29 0.95 . . . . 0.0 114.079 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.12 -49.39 6.78 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -56.59 -50.99 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.58 1.082 . . . . 0.0 111.576 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.93 -47.6 84.47 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.304 0.574 . . . . 0.0 111.687 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.8 m -55.99 -33.91 65.27 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.764 1.626 . . . . 0.0 113.724 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -41.09 87.81 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.373 1.869 . . . . 0.0 111.912 172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -65.56 -34.47 78.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.603 -0.685 . . . . 0.0 111.455 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -75.5 -46.04 34.68 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.911 1.284 . . . . 0.0 113.546 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -141.1 77.42 20.48 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.788 1.635 . . . . 0.0 115.138 -174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.99 -9.65 26.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.926 2.417 . . . . 0.0 114.482 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -64.24 -15.3 59.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.867 1.267 . . . . 0.0 114.32 173.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.54 23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.211 1.404 . . . . 0.0 110.777 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -51.86 -34.87 42.81 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.277 1.399 . . . . 0.0 113.793 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.04 82.59 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.376 1.07 . . . . 0.0 111.976 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.63 -35.87 57.79 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.94 1.696 . . . . 0.0 110.536 -172.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.14 -41.66 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.973 1.309 . . . . 0.0 110.414 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.21 -44.49 95.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.493 0.717 . . . . 0.0 110.673 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.9 83.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.014 0.526 . . . . 0.0 112.238 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.31 -43.45 81.65 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.1 -1.0 . . . . 0.0 113.652 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.08 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.765 0.317 . . . . 0.0 111.146 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.24 -44.32 72.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.383 1.073 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.94 -45.08 93.77 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 127.557 2.343 . . . . 0.0 112.464 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.62 -33.73 64.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.049 0.539 . . . . 0.0 112.133 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.71 -33.73 75.7 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.988 0.813 . . . . 0.0 111.088 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.13 -35.99 74.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.89 62.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.882 1.273 . . . . 0.0 113.308 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -106.97 0.03 23.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.396 1.078 . . . . 0.0 112.726 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 151.45 85.45 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.218 1.407 . . . . 0.0 112.773 168.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.18 154.44 72.34 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 124.108 3.205 . . . . 0.0 112.033 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.042 2.137 . . . . 0.0 112.266 177.09 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -73.84 137.09 43.56 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.167 -0.958 . . . . 0.0 112.213 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.46 4.92 37.62 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.613 1.565 . . . . 0.0 113.568 -174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -145.37 159.57 42.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.398 1.079 . . . . 0.0 113.715 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -95.91 173.17 7.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.264 1.826 . . . . 0.0 115.809 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -98.03 168.28 10.38 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.355 1.062 . . . . 0.0 109.997 162.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.03 -41.76 97.32 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -170.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.0 -32.77 57.41 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.164 0.893 . . . . 0.0 112.162 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -53.84 -58.18 8.2 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.592 -0.692 . . . . 0.0 111.708 164.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -64.36 -25.4 68.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.633 1.106 . . . . 0.0 113.958 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -61.72 -69.48 0.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.913 1.285 . . . . 0.0 112.055 164.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -60.8 -23.86 65.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -176.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.57 -58.21 3.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.974 1.71 . . . . 0.0 111.209 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.03 -44.36 64.18 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 170.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -63.67 -47.04 82.84 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.821 0.848 . . . . 0.0 112.401 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.17 -36.58 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.427 0.558 . . . . 0.0 110.93 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.78 -23.13 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 170.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.29 -28.75 18.57 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.75 121.11 32.21 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.53 1.132 . . . . 0.0 112.885 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.15 -35.9 3.72 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.425 2.75 . . . . 0.0 115.915 -160.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -87.64 -5.34 58.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.704 1.202 . . . . 0.0 112.032 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.34 134.8 39.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.557 1.543 . . . . 0.0 110.404 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 p -74.26 154.8 38.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.181 0.515 . . . . 0.0 112.018 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.46 -29.49 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.224 -0.298 . . . . 0.0 111.615 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -68.02 -55.31 13.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.213 1.405 . . . . 0.0 113.667 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -55.0 -42.77 72.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.183 0.993 . . . . 0.0 111.507 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -42.66 -52.19 4.97 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.489 1.516 . . . . 0.0 112.31 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -55.06 -42.58 72.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.214 0.915 . . . . 0.0 112.585 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.36 -6.65 49.15 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -111.18 -47.55 3.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 168.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.7 -48.43 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.89 1.276 . . . . 0.0 111.069 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -58.6 -51.92 67.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.085 0.469 . . . . 0.0 111.748 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 m -54.69 -32.62 59.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.622 1.169 . . . . 0.0 113.334 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 12' ' ' ALA . 15.2 tp -69.77 -31.97 70.2 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.535 1.134 . . . . 0.0 113.803 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.85 -35.92 81.15 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.835 -0.54 . . . . 0.0 110.477 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -82.31 -45.5 14.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.137 1.375 . . . . 0.0 113.967 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -133.14 59.2 40.38 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.244 1.818 . . . . 0.0 113.494 -169.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -59.27 -18.55 45.59 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.33 3.354 . . . . 0.0 114.6 -175.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -64.44 -19.7 65.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.635 1.561 . . . . 0.0 113.101 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m -101.39 23.47 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.878 -1.139 . . . . 0.0 111.9 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -46.5 -41.57 14.29 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 120.896 -1.127 . . . . 0.0 113.661 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.94 -36.7 82.17 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.609 2.364 . . . . 0.0 111.977 179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.2 -36.27 24.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.661 1.585 . . . . 0.0 111.049 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.16 -38.94 72.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.382 1.473 . . . . 0.0 110.517 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.01 -48.88 79.87 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.933 0.893 . . . . 0.0 110.219 167.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.06 -40.75 81.81 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.63 -47.8 79.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.4 87.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.892 0.477 . . . . 0.0 111.64 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.06 -45.19 67.61 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.813 1.245 . . . . 0.0 111.953 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -60.75 -47.73 84.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 172.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.44 -29.96 67.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.188 0.904 . . . . 0.0 112.094 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.52 -38.19 88.95 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.233 -0.917 . . . . 0.0 111.295 167.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -35.02 74.05 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.3 -14.64 61.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.382 1.473 . . . . 0.0 113.216 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -115.33 3.92 14.3 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.233 1.413 . . . . 0.0 112.066 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.71 92.43 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.769 1.628 . . . . 0.0 111.529 163.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.35 146.32 85.49 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 124.628 3.552 . . . . 0.0 112.953 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.842 1.657 . . . . 0.0 113.009 175.756 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.667 0.27 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.269 0.6 OUTLIER -141.7 7.46 1.89 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 -175.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -78.02 -30.81 50.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.967 0.907 . . . . 0.0 112.521 173.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -122.87 112.57 18.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.99 2.516 . . . . 0.0 109.285 161.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -69.17 154.82 41.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -69.75 164.76 22.83 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.495 1.518 . . . . 0.0 111.153 165.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.29 -45.28 93.89 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.33 0.968 . . . . 0.0 112.972 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -68.54 -38.06 80.51 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.382 -0.824 . . . . 0.0 113.081 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.09 -54.15 42.38 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.504 -0.748 . . . . 0.0 112.249 174.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.04 -32.39 73.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.335 0.654 . . . . 0.0 111.741 -175.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.19 -57.93 8.9 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.177 1.391 . . . . 0.0 112.07 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -31.41 66.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -68.37 -57.88 5.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.609 1.564 . . . . 0.0 113.302 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -44.81 27.54 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 166.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -64.21 -44.09 93.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.421 1.088 . . . . 0.0 113.23 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.44 -30.79 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.704 1.202 . . . . 0.0 111.935 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.34 -32.86 74.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.15 0.98 . . . . 0.0 112.534 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.19 -24.68 57.86 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.86 119.5 69.88 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.225 1.01 . . . . 0.0 112.314 -168.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.89 -35.28 0.29 Allowed 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.953 2.435 . . . . 0.0 114.979 -166.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -78.86 -22.3 46.24 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.212 0.914 . . . . 0.0 112.528 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.05 141.1 51.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.126 2.171 . . . . 0.0 111.273 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 p -91.01 160.01 15.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 173.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.53 -33.79 74.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.805 0.812 . . . . 0.0 111.816 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.21 -43.34 98.41 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.079 1.351 . . . . 0.0 112.823 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.71 -49.77 64.97 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 111.785 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -51.82 -54.19 31.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.162 1.785 . . . . 0.0 111.337 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -37.34 74.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.211 1.404 . . . . 0.0 111.392 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.2 -41.82 96.9 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.219 -0.767 . . . . 0.0 114.056 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -82.71 -47.27 12.18 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.204 1.502 . . . . 0.0 107.271 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -57.42 -51.67 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.579 0.752 . . . . 0.0 111.365 -177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -59.76 -46.16 90.03 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 122.035 0.922 . . . . 0.0 111.092 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -57.48 -30.91 65.47 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.181 1.393 . . . . 0.0 114.018 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -36.53 82.43 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.065 1.346 . . . . 0.0 111.513 172.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.91 -44.14 66.84 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.026 0.93 . . . . 0.0 110.991 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -64.84 -44.1 90.9 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -136.79 64.09 48.63 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 114.494 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -64.0 -14.02 40.94 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.242 1.961 . . . . 0.0 113.364 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.9 p -54.13 -26.39 27.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.512 1.125 . . . . 0.0 113.309 169.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.3 23.61 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.413 1.485 . . . . 0.0 112.309 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -42.25 -44.9 3.98 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.999 1.319 . . . . 0.0 113.758 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.79 -36.24 80.51 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.043 2.537 . . . . 0.0 112.241 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -88.51 -33.79 17.65 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.838 1.255 . . . . 0.0 111.381 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.58 -37.96 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.382 1.073 . . . . 0.0 110.581 175.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.64 -46.68 86.59 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.3 0.64 . . . . 0.0 110.884 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.26 72.35 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.71 -55.09 16.67 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.703 1.601 . . . . 0.0 113.48 169.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.24 75.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.669 0.388 . . . . 0.0 111.968 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -68.72 -50.67 48.89 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.098 0.959 . . . . 0.0 111.517 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -46.1 77.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.059 1.344 . . . . 0.0 112.251 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.98 -26.79 63.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.078 -1.014 . . . . 0.0 113.538 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.41 -38.71 71.43 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.547 1.067 . . . . 0.0 111.085 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.64 -35.09 74.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.19 66.72 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 112.337 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -99.53 -13.61 19.39 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.719 1.208 . . . . 0.0 112.642 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.74 152.82 34.51 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.134 1.374 . . . . 0.0 112.543 169.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.2 133.36 24.58 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.719 2.946 . . . . 0.0 111.422 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? . . . . . 0 C--O 1.254 1.293 0 CA-C-O 117.105 -1.426 . . . . 0.0 113.232 -173.085 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 120.589 0.233 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -96.68 81.62 3.21 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -81.46 -26.43 35.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -168.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 tttp 54.05 60.8 3.39 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.525 1.93 . . . . 0.0 113.481 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -147.26 169.22 19.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -82.19 172.07 13.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.334 1.054 . . . . 0.0 111.098 162.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.16 -50.54 72.52 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.936 1.295 . . . . 0.0 114.336 -167.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -77.12 -34.18 56.73 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.658 0.783 . . . . 0.0 112.185 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.99 -51.22 71.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.688 0.395 . . . . 0.0 111.159 172.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.86 -31.96 73.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.085 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -59.07 -63.17 1.4 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.681 1.192 . . . . 0.0 111.309 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.56 -33.29 71.24 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.03 -55.5 14.14 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.475 1.11 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -51.78 -45.97 63.98 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 167.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.5 -37.74 88.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.252 1.421 . . . . 0.0 113.318 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.6 mt -69.52 -44.11 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.482 1.113 . . . . 0.0 111.048 172.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.8 -18.1 64.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.137 1.375 . . . . 0.0 114.123 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -79.63 -21.82 44.37 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.558 1.543 . . . . 0.0 113.562 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.89 112.79 22.01 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 119.655 1.116 . . . . 0.0 111.221 -170.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.76 -30.79 5.8 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.964 2.442 . . . . 0.0 114.108 -165.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -84.25 -11.12 57.0 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.043 -1.036 . . . . 0.0 112.661 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.12 135.37 50.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.41 1.484 . . . . 0.0 111.46 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.254 3.8 p -73.44 151.94 40.94 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -67.63 -20.78 65.38 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.317 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.25 -47.89 25.96 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.743 1.617 . . . . 0.0 113.492 167.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.2 -42.1 90.13 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.701 1.2 . . . . 0.0 111.843 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -49.75 -52.47 31.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.702 1.601 . . . . 0.0 111.602 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -57.52 -33.0 67.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.331 1.852 . . . . 0.0 112.368 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.16 -45.22 88.24 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 125.391 1.472 . . . . 0.0 113.123 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.77 -47.2 9.97 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.13 -47.74 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.126 0.875 . . . . 0.0 111.839 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -46.21 88.34 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -65.05 -26.03 68.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -41.14 97.53 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.978 1.311 . . . . 0.0 112.06 169.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.24 -41.25 94.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.77 0.828 . . . . 0.0 111.011 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -64.35 -53.27 51.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -131.45 65.46 76.22 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 115.603 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -60.9 -15.92 41.55 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.195 2.597 . . . . 0.0 115.255 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 m -62.48 -21.69 65.67 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.5 1.12 . . . . 0.0 113.657 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -109.16 23.66 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 113.078 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -41.3 -41.82 2.01 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.146 1.378 . . . . 0.0 114.567 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -62.13 -37.19 84.19 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.335 2.654 . . . . 0.0 112.506 -179.352 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -80.23 -38.67 30.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.841 0.856 . . . . 0.0 111.978 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mm -65.19 -39.97 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 110.517 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.74 -43.77 98.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.716 171.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.99 81.02 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.35 -47.48 73.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 113.22 172.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.45 85.97 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.084 0.402 . . . . 0.0 111.06 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.81 -45.38 78.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.236 1.014 . . . . 0.0 111.686 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -60.56 -46.89 88.53 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.902 1.681 . . . . 0.0 112.905 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.78 -22.65 60.8 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.544 -0.723 . . . . 0.0 112.835 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.51 -36.81 76.8 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.68 -0.637 . . . . 0.0 111.263 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.55 -29.59 68.18 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 176.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.45 65.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 113.535 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -116.44 -9.48 11.45 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 112.345 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.81 161.04 49.5 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 126.875 2.07 . . . . 0.0 113.504 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.84 162.62 12.79 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 124.935 3.756 . . . . 0.0 114.943 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.7 mttm . . . . . 0 C--O 1.251 1.169 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.472 0.674 0 CA-C-O 121.042 0.449 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.61 85.2 3.95 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.172 1.389 . . . . 0.0 113.227 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -79.38 -7.75 58.6 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 -157.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -140.55 145.94 37.43 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.055 1.342 . . . . 0.0 112.528 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.17 163.28 25.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -88.57 163.14 16.0 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.198 1.399 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -38.65 81.88 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -167.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.88 -31.82 27.69 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.45 -0.781 . . . . 0.0 112.762 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.13 -55.21 37.92 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.765 -0.584 . . . . 0.0 111.719 170.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.47 -28.5 69.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.737 0.415 . . . . 0.0 111.959 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.56 -67.85 0.32 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.056 1.342 . . . . 0.0 112.085 164.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.46 64.14 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.17 -58.93 3.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.613 1.565 . . . . 0.0 112.538 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.02 -43.94 63.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 169.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -59.2 -41.85 89.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.892 0.877 . . . . 0.0 112.827 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.6 -28.31 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.623 1.169 . . . . 0.0 111.911 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.72 -20.33 61.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.131 . . . . 0.0 113.473 167.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -85.29 -15.2 44.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.878 1.271 . . . . 0.0 113.203 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.77 121.28 80.68 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 120.637 1.562 . . . . 0.0 111.644 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.56 -31.28 2.07 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.405 2.736 . . . . 0.0 114.67 -167.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -88.7 -28.18 20.73 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.022 0.828 . . . . 0.0 112.712 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.01 139.03 53.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.205 1.802 . . . . 0.0 112.211 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 p -80.45 153.72 28.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.11 -28.22 67.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.002 1.321 . . . . 0.0 111.976 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.88 -50.14 25.64 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.751 1.62 . . . . 0.0 112.747 171.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.6 -41.94 91.48 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.026 0.93 . . . . 0.0 112.049 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -49.63 -46.08 49.05 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.272 1.429 . . . . 0.0 111.708 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -54.64 -40.84 69.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.347 1.459 . . . . 0.0 112.985 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.75 -21.81 71.4 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.098 -0.834 . . . . 0.0 114.685 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -96.87 -47.17 5.95 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 173.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -58.43 -47.81 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.246 1.018 . . . . 0.0 112.244 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -52.75 -51.98 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.249 0.547 . . . . 0.0 111.794 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -60.75 -28.87 69.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 172.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.33 -26.87 66.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.772 1.169 . . . . 0.0 113.355 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -72.34 -42.91 64.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.288 0.635 . . . . 0.0 110.483 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -73.97 -49.27 25.26 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 127.339 2.256 . . . . 0.0 116.191 -176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -125.51 63.34 44.31 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 128.466 2.706 . . . . 0.0 114.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -57.91 -20.1 42.84 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.336 2.69 . . . . 0.0 114.186 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -69.04 -18.47 64.03 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.933 -1.104 . . . . 0.0 113.591 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.26 10.7 m -101.09 26.53 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.594 1.158 . . . . 0.0 112.719 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 p -37.32 -42.98 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.18 1.792 . . . . 0.0 114.33 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.85 87.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.087 1.755 . . . . 0.0 111.76 -177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.45 -36.56 38.66 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.449 1.5 . . . . 0.0 112.527 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.93 -42.36 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.484 1.114 . . . . 0.0 110.237 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.08 -49.84 74.36 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.056 0.942 . . . . 0.0 111.351 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.81 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.852 0.861 . . . . 0.0 113.063 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.52 -46.97 58.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.32 84.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.199 0.454 . . . . 0.0 111.287 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -46.37 72.92 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.852 1.261 . . . . 0.0 111.954 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -59.97 -47.02 87.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 112.511 174.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.43 -27.06 62.09 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -70.58 -35.14 72.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.114 0.87 . . . . 0.0 111.384 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.47 -34.67 78.46 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.11 77.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.342 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -91.87 0.71 57.47 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.045 0.938 . . . . 0.0 113.012 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 156.71 64.93 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.4 1.88 . . . . 0.0 111.422 163.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.6 172.27 14.68 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.77 2.98 . . . . 0.0 112.126 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 C--O 1.251 1.152 0 C-N-CA 123.652 0.781 . . . . 0.0 111.574 161.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.93 147.17 24.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.52 -49.06 62.4 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 112.744 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -62.02 130.59 46.25 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.464 1.029 . . . . 0.0 110.69 172.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 19.1 m-85 -58.61 154.31 14.59 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -170.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -72.39 160.32 32.54 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.433 1.093 . . . . 0.0 110.881 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.25 -32.53 74.25 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -76.37 -44.17 37.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.804 1.183 . . . . 0.0 111.857 167.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -52.25 -53.84 38.67 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.47 0.708 . . . . 0.0 112.491 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.95 -38.85 87.32 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.354 0.525 . . . . 0.0 112.156 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.63 -47.26 73.16 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.089 1.356 . . . . 0.0 112.576 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 45' ' ' LEU . . . -66.43 -28.89 68.96 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.016 0.913 . . . . 0.0 112.363 178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -72.23 -53.55 12.23 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 112.04 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -48.2 -45.9 34.35 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 166.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.76 -36.73 67.64 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.795 1.238 . . . . 0.0 112.848 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -79.1 -40.58 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 110.854 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.22 -24.5 67.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.481 1.112 . . . . 0.0 113.961 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -97.09 2.94 51.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.59 124.39 87.82 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.592 1.087 . . . . 0.0 111.236 174.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.53 -33.95 0.84 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.064 2.51 . . . . 0.0 115.35 -168.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -87.49 -21.33 25.55 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.237 0.926 . . . . 0.0 112.438 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 134.41 56.97 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.584 1.554 . . . . 0.0 111.884 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 p -78.82 159.31 27.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -54.86 -37.57 66.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.135 0.574 . . . . 0.0 111.09 172.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.37 -43.89 38.8 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.821 1.248 . . . . 0.0 112.581 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.23 -45.01 92.3 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 124.134 0.974 . . . . 0.0 112.043 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -50.59 -46.91 58.12 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.186 1.395 . . . . 0.0 111.38 -174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -49.02 -44.89 41.82 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.362 1.865 . . . . 0.0 113.518 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.08 -26.75 74.44 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-N 119.338 0.972 . . . . 0.0 113.823 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -87.71 -49.12 7.34 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mt -53.39 -53.67 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.338 1.055 . . . . 0.0 111.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -45.13 94.56 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.045 -0.409 . . . . 0.0 110.794 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -60.45 -32.0 70.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 tp -64.68 -34.78 79.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.343 1.057 . . . . 0.0 112.604 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -68.04 -38.72 82.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.504 0.722 . . . . 0.0 111.456 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.25 -46.37 56.26 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -132.22 71.32 79.76 Favored Pre-proline 0 CA--C 1.549 0.94 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -65.06 -14.32 44.58 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.4 2.067 . . . . 0.0 113.401 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -64.25 -22.96 67.13 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.306 1.442 . . . . 0.0 112.984 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -106.57 27.37 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.646 1.578 . . . . 0.0 112.679 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.2 p -42.12 -41.0 2.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.803 1.241 . . . . 0.0 113.664 175.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -57.11 -43.13 82.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.785 2.034 . . . . 0.0 111.552 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.67 -36.7 51.01 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.407 1.083 . . . . 0.0 112.704 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -70.23 -39.09 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.536 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 12' ' ' ALA . 6.0 mp -59.56 -48.58 81.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.161 0.985 . . . . 0.0 110.256 168.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.81 80.85 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.527 0.603 . . . . 0.0 112.517 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.6 -49.87 55.97 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.08 -39.04 77.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.433 0.635 . . . . 0.0 110.748 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -73.59 -41.93 62.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.027 1.331 . . . . 0.0 112.981 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.71 -47.88 83.05 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.895 1.678 . . . . 0.0 111.749 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.14 -34.29 70.87 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.644 0.778 . . . . 0.0 112.617 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -64.71 -32.07 73.58 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.064 -1.022 . . . . 0.0 111.079 169.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.69 -29.06 61.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.3 59.81 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.014 0.925 . . . . 0.0 112.947 170.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -98.86 -3.82 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.69 1.196 . . . . 0.0 112.652 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 155.94 87.66 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.754 2.021 . . . . 0.0 111.177 164.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.7 161.11 43.19 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 124.183 3.256 . . . . 0.0 112.019 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.808 1.643 . . . . 0.0 113.849 -176.033 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 110.748 -0.093 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -73.85 132.47 42.57 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.89 0.876 . . . . 0.0 110.581 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -83.91 -17.23 41.43 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -71.8 151.03 43.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.755 1.222 . . . . 0.0 111.761 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -68.71 169.94 10.32 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -105.74 162.47 13.51 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.476 1.51 . . . . 0.0 110.261 161.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.73 -46.72 77.86 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -164.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -69.66 -34.65 74.29 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.489 -0.757 . . . . 0.0 112.339 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -56.31 -54.83 40.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.947 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.68 -35.57 78.37 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.048 1.294 . . . . 0.0 112.489 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.02 -61.27 2.67 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.044 1.738 . . . . 0.0 112.802 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.86 71.91 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -69.08 -53.83 18.27 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.025 1.33 . . . . 0.0 111.688 -177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.38 -42.55 70.49 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 116.069 1.878 . . . . 0.0 116.069 168.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -67.4 -34.14 76.65 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 44' ' ' ILE . 42.0 mt -68.13 -40.66 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.942 169.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.4 -21.97 66.81 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.379 1.072 . . . . 0.0 113.23 172.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -84.68 -3.09 58.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.813 2.045 . . . . 0.0 114.498 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.45 109.1 33.85 Favored Pre-proline 0 CA--C 1.549 0.934 0 O-C-N 120.845 -1.159 . . . . 0.0 111.76 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.95 -29.57 14.92 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.453 2.769 . . . . 0.0 114.343 -168.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.05 -6.26 54.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.077 0.951 . . . . 0.0 112.312 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.81 136.15 46.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.575 1.55 . . . . 0.0 110.301 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 p -74.63 152.14 39.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.432 0.56 . . . . 0.0 112.238 166.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -27.63 69.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.408 -0.182 . . . . 0.0 111.436 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.78 -44.59 61.36 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -57.07 -44.2 82.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.986 0.914 . . . . 0.0 111.136 170.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -50.73 -50.51 55.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.577 1.951 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -50.11 -43.56 51.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.859 1.664 . . . . 0.0 112.576 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -19.53 71.93 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.607 -1.107 . . . . 0.0 114.717 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -94.51 -49.5 5.63 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.179 1.489 . . . . 0.0 107.712 172.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.56 -47.74 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.452 0.701 . . . . 0.0 110.919 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.16 -47.46 83.31 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 m -58.95 -34.72 72.08 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 172.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -25.49 66.76 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.049 0.939 . . . . 0.0 113.53 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -72.03 -40.55 68.33 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.74 0.816 . . . . 0.0 111.227 170.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.4 -52.28 11.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.769 1.628 . . . . 0.0 114.631 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -126.11 61.07 38.96 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.344 2.258 . . . . 0.0 114.433 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -61.3 -12.1 22.19 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.116 3.21 . . . . 0.0 115.289 -172.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -68.26 -32.67 73.01 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.618 1.553 . . . . 0.0 112.042 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.27 23.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 120.786 -1.196 . . . . 0.0 112.958 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.6 p -40.76 -39.03 1.01 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.202 1.801 . . . . 0.0 114.025 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.53 -47.48 85.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.227 1.811 . . . . 0.0 110.632 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.85 -40.82 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.726 1.21 . . . . 0.0 111.77 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 16' ' ' ILE . 32.7 mm -63.09 -37.07 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.859 -0.525 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.04 -45.44 77.45 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.147 0.979 . . . . 0.0 112.583 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.2 80.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.897 0.771 . . . . 0.0 111.218 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.92 -45.77 48.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.36 72.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.038 0.381 . . . . 0.0 110.852 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -69.51 -50.53 44.27 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.032 0.933 . . . . 0.0 111.709 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.0 ttpt -53.29 -48.11 68.63 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 112.368 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 16.7 mt -70.3 -36.26 74.21 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.18 0.592 . . . . 0.0 112.417 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.24 -38.44 83.44 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.279 0.945 . . . . 0.0 111.131 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.15 -26.71 42.74 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.8 70.93 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.375 0.67 . . . . 0.0 111.924 167.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.19 -4.81 55.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.981 0.912 . . . . 0.0 113.344 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.84 156.06 3.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.866 2.067 . . . . 0.0 113.904 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.69 168.33 21.76 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.633 2.889 . . . . 0.0 113.306 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.864 2.066 . . . . 0.0 112.561 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.275 16.1 m-20 -67.5 143.76 56.02 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -172.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -70.51 -51.96 25.19 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.424 1.09 . . . . 0.0 112.396 -172.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -89.94 145.94 24.75 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.029 1.332 . . . . 0.0 111.5 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -76.43 145.76 39.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 157.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -68.84 159.53 32.31 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -45.57 68.5 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.875 0.761 . . . . 0.0 111.002 169.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -69.1 -40.15 78.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.782 1.633 . . . . 0.0 114.278 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.29 -54.68 37.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.566 0.747 . . . . 0.0 111.629 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.02 -29.65 70.05 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.024 -172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.74 -57.22 13.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.97 1.708 . . . . 0.0 111.968 167.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.22 69.44 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -75.97 -53.54 8.23 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.012 1.325 . . . . 0.0 111.143 -174.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.04 -41.93 60.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 166.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -68.96 -42.87 76.04 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.76 -31.62 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.234 1.014 . . . . 0.0 111.534 174.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.34 -34.23 74.94 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.966 0.906 . . . . 0.0 112.512 166.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.58 -15.05 59.0 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.81 118.33 71.02 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 120.356 1.434 . . . . 0.0 112.111 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.98 -31.29 1.05 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.154 2.569 . . . . 0.0 115.048 -168.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -85.08 -3.06 58.66 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.332 0.969 . . . . 0.0 112.482 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.88 142.05 40.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.284 1.834 . . . . 0.0 110.615 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 p -77.76 154.34 32.07 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.569 1.077 . . . . 0.0 112.115 166.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.03 -29.65 70.78 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 122.151 -0.343 . . . . 0.0 111.3 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.27 -42.95 65.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.051 1.74 . . . . 0.0 112.798 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -57.65 -44.2 85.46 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -54.28 -54.32 41.83 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.665 1.186 . . . . 0.0 111.449 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -53.4 -41.46 65.98 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.203 1.001 . . . . 0.0 110.688 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.71 -43.97 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.317 -1.269 . . . . 0.0 114.374 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -84.26 -45.86 12.43 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.83 1.815 . . . . 0.0 107.73 178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.2 mt -54.66 -47.93 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.065 0.546 . . . . 0.0 110.997 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.53 -55.48 28.7 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.308 0.575 . . . . 0.0 112.199 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.4 m -58.53 -28.75 65.75 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -44.49 95.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.074 1.75 . . . . 0.0 111.546 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.45 -40.27 86.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.661 0.785 . . . . 0.0 111.401 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.59 -38.11 55.38 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -132.12 59.94 47.71 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.0 -10.05 27.19 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.811 2.341 . . . . 0.0 115.281 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -77.01 -2.09 32.15 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.878 1.271 . . . . 0.0 113.475 171.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.0 27.37 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.417 1.087 . . . . 0.0 111.802 167.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.3 m -53.38 -34.11 56.36 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.021 -1.049 . . . . 0.0 113.372 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -41.85 93.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.591 0.756 . . . . 0.0 112.317 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -79.49 -34.49 41.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.216 1.406 . . . . 0.0 110.41 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.4 -39.06 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.521 1.528 . . . . 0.0 110.929 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.83 -49.88 74.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.449 0.699 . . . . 0.0 109.743 165.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.29 75.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.389 0.676 . . . . 0.0 112.818 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.94 -50.78 70.76 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.321 0.964 . . . . 0.0 113.516 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.54 75.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.806 0.443 . . . . 0.0 111.635 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -73.06 -46.03 53.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.392 1.477 . . . . 0.0 112.524 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 12.5 ttpt -58.1 -48.08 81.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.431 1.892 . . . . 0.0 111.93 172.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 11.5 mt -70.11 -35.95 74.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.418 0.687 . . . . 0.0 112.23 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -61.01 -36.86 80.62 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.05 0.841 . . . . 0.0 110.931 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.35 -32.03 66.14 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.39 -21.8 55.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.754 1.222 . . . . 0.0 113.669 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -100.07 -8.89 23.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.99 0.916 . . . . 0.0 112.373 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.03 70.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.837 1.655 . . . . 0.0 113.659 171.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -63.85 136.67 54.28 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 124.046 3.164 . . . . 0.0 111.031 176.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? . . . . . 0 C--O 1.256 1.439 0 C-N-CA 125.55 1.54 . . . . 0.0 113.925 -176.183 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.94 140.09 55.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.13 -31.32 72.1 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.304 -0.872 . . . . 0.0 112.735 173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -161.82 149.59 14.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.63 1.972 . . . . 0.0 110.372 -173.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -54.01 155.19 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 172.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -89.02 159.03 17.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.059 0.944 . . . . 0.0 111.285 170.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -49.93 -48.42 51.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.556 1.542 . . . . 0.0 114.21 -172.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -80.48 -29.94 37.41 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.234 1.013 . . . . 0.0 112.747 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.22 -51.86 64.57 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.923 1.289 . . . . 0.0 112.221 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.69 -28.94 70.29 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.66 -59.23 5.21 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.384 1.074 . . . . 0.0 112.351 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.04 68.4 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -70.71 -56.35 6.6 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -49.11 -49.34 42.41 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 165.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -61.58 -41.34 97.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.6 mt -71.54 -39.17 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 111.762 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.57 -31.08 71.12 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.281 -0.887 . . . . 0.0 112.682 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.97 -7.49 56.88 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.06 118.89 75.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 O-C-N 120.609 -1.307 . . . . 0.0 110.912 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -78.71 -30.95 2.72 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.232 2.621 . . . . 0.0 115.353 -166.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -89.2 -18.22 27.53 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.802 1.183 . . . . 0.0 113.354 -176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.62 132.82 53.63 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.95 1.7 . . . . 0.0 111.16 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -74.65 151.13 39.34 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.994 -0.441 . . . . 0.0 110.704 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.0 -27.01 67.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.878 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -60.54 -52.56 64.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.555 1.942 . . . . 0.0 111.783 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.05 -46.63 85.08 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.149 1.38 . . . . 0.0 111.732 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -54.27 -53.1 58.32 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 110.554 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -36.85 38.67 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.435 1.894 . . . . 0.0 113.478 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.28 -43.04 99.65 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 121.189 -0.944 . . . . 0.0 113.069 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -80.56 -49.49 11.26 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mt -57.8 -48.18 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.793 0.837 . . . . 0.0 111.894 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -44.73 94.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.389 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 m -64.05 -25.72 68.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -30.87 71.92 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 119.672 1.124 . . . . 0.0 112.406 169.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -76.58 -27.28 55.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.826 1.251 . . . . 0.0 112.002 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -79.9 -51.56 8.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.477 1.511 . . . . 0.0 112.249 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -132.12 66.54 77.66 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 126.566 1.947 . . . . 0.0 114.756 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.36 -9.73 24.98 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.85 2.367 . . . . 0.0 115.906 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -77.53 -18.13 57.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.549 1.522 . . . . 0.0 113.617 169.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.291 6.2 m -93.65 20.78 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 120.974 -1.079 . . . . 0.0 112.68 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -45.01 -43.43 9.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.243 1.417 . . . . 0.0 112.388 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -59.34 -47.14 86.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.365 2.266 . . . . 0.0 110.541 178.489 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.52 -29.96 52.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.893 1.277 . . . . 0.0 111.808 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -75.94 -40.42 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.885 1.674 . . . . 0.0 110.58 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.21 -45.94 89.77 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.089 0.956 . . . . 0.0 110.845 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.9 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.368 0.667 . . . . 0.0 112.778 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.43 -53.37 57.46 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.49 1.516 . . . . 0.0 112.139 174.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.73 79.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.385 0.674 . . . . 0.0 111.818 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -70.71 -45.46 64.89 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.948 0.899 . . . . 0.0 112.059 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -60.79 -44.14 97.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.391 1.477 . . . . 0.0 112.11 171.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.51 -25.6 62.32 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.01 -37.83 78.89 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.023 0.829 . . . . 0.0 111.61 166.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.31 -37.99 84.25 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -20.48 65.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.94 0.896 . . . . 0.0 112.317 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -107.87 3.63 24.53 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.545 1.138 . . . . 0.0 112.682 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 152.03 78.38 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.74 1.616 . . . . 0.0 112.362 170.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.23 150.78 71.83 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 124.463 3.442 . . . . 0.0 114.124 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt . . . . . 0 C--O 1.251 1.137 0 C-N-CA 128.829 2.852 . . . . 0.0 110.163 173.233 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.818 -0.067 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.59 123.41 22.43 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -127.03 5.96 6.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.27 1.428 . . . . 0.0 113.722 -171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -141.86 138.25 32.0 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.343 1.457 . . . . 0.0 111.081 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -75.46 158.85 32.04 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -79.57 167.37 20.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.962 0.905 . . . . 0.0 110.492 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -60.57 -42.78 97.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -167.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.08 -31.16 25.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.952 0.796 . . . . 0.0 111.303 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' CG ' ' HB3' ' A' ' 38' ' ' PRO . 81.3 mt-30 -55.35 -55.14 34.95 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.517 0.599 . . . . 0.0 112.09 171.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -61.71 -30.99 71.11 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -61.72 -64.08 1.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.767 2.027 . . . . 0.0 112.309 167.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.87 69.73 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.79 -55.31 15.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.746 1.618 . . . . 0.0 110.806 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -51.64 -43.41 62.6 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.636 2.088 . . . . 0.0 116.636 168.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -66.59 -40.15 88.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.914 1.286 . . . . 0.0 113.804 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.86 -40.19 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.534 1.133 . . . . 0.0 110.833 174.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -20.62 63.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.621 1.168 . . . . 0.0 113.627 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -80.05 -17.35 52.97 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.11 118.21 71.33 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.302 0.955 . . . . 0.0 111.743 -171.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.84 -38.45 0.36 Allowed 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.07 2.513 . . . . 0.0 114.836 -167.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -79.59 -10.9 59.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.156 0.982 . . . . 0.0 113.011 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.86 137.76 57.96 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.292 1.037 . . . . 0.0 110.296 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.3 2.9 p -73.67 151.24 40.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.27 -14.91 29.86 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.046 1.338 . . . . 0.0 113.026 173.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.03 -55.25 3.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.893 1.677 . . . . 0.0 112.653 165.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -50.83 -42.28 58.39 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.084 1.353 . . . . 0.0 113.028 -172.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -49.71 -53.17 26.3 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.507 1.523 . . . . 0.0 111.615 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.75 -29.39 69.36 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.72 2.008 . . . . 0.0 111.392 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.94 -43.5 95.88 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-N 119.534 1.061 . . . . 0.0 114.025 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.74 -44.39 33.35 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.03 -45.08 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.164 0.586 . . . . 0.0 111.755 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -51.5 -52.28 48.08 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.902 -0.499 . . . . 0.0 111.941 175.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -59.57 -30.23 68.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.503 1.521 . . . . 0.0 114.14 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.0 -25.8 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.829 2.052 . . . . 0.0 113.533 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -70.01 -34.27 73.09 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.06 0.544 . . . . 0.0 111.393 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -76.35 -52.22 10.35 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.019 2.528 . . . . 0.0 116.506 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -130.15 68.66 81.32 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HB3' ' CG ' ' A' ' 9' ' ' GLN . 44.7 Cg_endo -60.69 -18.41 55.25 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.306 2.67 . . . . 0.0 115.355 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -53.33 -35.35 60.1 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.025 -1.047 . . . . 0.0 113.042 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -97.72 23.55 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.469 1.107 . . . . 0.0 112.025 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.5 m -44.97 -37.97 4.39 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.679 1.192 . . . . 0.0 113.704 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -42.35 95.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.351 1.461 . . . . 0.0 111.843 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.75 -32.31 23.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.928 1.291 . . . . 0.0 110.615 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -66.64 -39.71 84.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.52 -0.738 . . . . 0.0 110.537 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.63 -41.93 98.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.922 0.889 . . . . 0.0 111.625 170.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.64 99.12 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.189 0.596 . . . . 0.0 111.484 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.98 -40.17 75.51 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.1 95.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.499 0.59 . . . . 0.0 111.045 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -65.0 -49.25 70.95 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.83 0.852 . . . . 0.0 112.5 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -32.57 70.73 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.28 -28.86 61.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.811 1.187 . . . . 0.0 113.127 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.54 -39.51 85.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.476 1.035 . . . . 0.0 111.209 168.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -31.15 71.09 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 114.301 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.52 64.95 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.354 -0.841 . . . . 0.0 112.973 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -101.33 -11.09 19.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.211 1.004 . . . . 0.0 112.899 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 168.22 6.13 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 126.823 2.049 . . . . 0.0 112.098 163.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.88 169.5 8.74 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 124.393 3.395 . . . . 0.0 113.653 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 C--O 1.255 1.384 0 C-N-CA 124.597 1.159 . . . . 0.0 113.469 170.502 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.156 0.503 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -58.82 130.39 46.73 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -69.97 -28.86 65.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.4 -0.812 . . . . 0.0 111.227 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -72.78 132.67 43.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.546 1.938 . . . . 0.0 113.616 -166.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.28 149.26 21.54 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 160.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -87.07 161.68 18.01 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.208 1.003 . . . . 0.0 110.086 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -56.46 -35.02 67.44 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -167.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -74.53 -40.14 61.92 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.362 1.065 . . . . 0.0 112.915 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.89 -46.13 89.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.593 0.757 . . . . 0.0 112.148 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -60.07 -31.01 69.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.18 -51.86 33.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.034 1.334 . . . . 0.0 112.455 171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.64 73.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.747 . . . . 0.0 112.363 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.86 -52.91 37.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.653 1.581 . . . . 0.0 111.569 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.6 -45.77 38.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.78 -39.84 91.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.741 1.616 . . . . 0.0 113.997 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.56 -39.49 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.115 1.366 . . . . 0.0 111.71 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.34 -27.27 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.062 0.945 . . . . 0.0 113.412 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -79.47 -11.23 59.91 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.87 126.5 86.96 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 119.644 1.111 . . . . 0.0 112.721 -170.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.23 -32.59 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.049 2.5 . . . . 0.0 115.231 -169.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -88.93 -18.12 28.15 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.99 1.268 . . . . 0.0 112.555 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.08 133.84 52.5 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.225 1.41 . . . . 0.0 111.875 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.257 3.8 p -74.55 151.05 39.5 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.05 -21.95 66.73 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.4 175.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.29 -46.26 34.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.861 2.064 . . . . 0.0 113.848 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.16 -41.9 98.75 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.554 1.142 . . . . 0.0 111.773 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -49.81 -48.6 50.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.015 1.726 . . . . 0.0 111.865 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -53.01 -39.62 63.27 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 127.542 2.337 . . . . 0.0 112.476 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.33 -34.12 74.18 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 120.386 1.448 . . . . 0.0 114.378 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.79 -48.28 13.84 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.92 -50.41 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.82 0.448 . . . . 0.0 110.534 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -53.32 -53.64 48.05 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.334 0.587 . . . . 0.0 111.527 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -57.85 -29.81 65.28 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.585 1.154 . . . . 0.0 113.901 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -31.54 72.47 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.796 2.039 . . . . 0.0 112.729 172.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -72.53 -30.49 64.51 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.136 0.975 . . . . 0.0 111.309 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.07 -56.38 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -125.15 67.87 55.75 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -172.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -65.39 -12.61 35.7 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.353 2.035 . . . . 0.0 114.562 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -10.46 54.24 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.798 -1.189 . . . . 0.0 112.783 171.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -114.57 23.89 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.515 1.526 . . . . 0.0 113.425 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -38.92 -46.39 1.31 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.761 1.624 . . . . 0.0 114.179 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -40.12 79.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.5 1.92 . . . . 0.0 111.942 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.19 -29.11 21.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.883 1.273 . . . . 0.0 113.047 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mm -71.33 -38.88 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.03 0.932 . . . . 0.0 110.249 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.02 -44.55 94.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.014 0.526 . . . . 0.0 111.144 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.15 80.89 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.669 0.668 . . . . 0.0 112.775 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.41 -49.67 70.63 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.184 -0.947 . . . . 0.0 113.382 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.49 73.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -74.24 -43.75 55.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.785 1.234 . . . . 0.0 112.865 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HE3' ' HG ' ' A' ' 51' ' ' LEU . 14.5 ttpt -57.52 -47.94 80.63 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.588 1.955 . . . . 0.0 112.412 169.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HG ' ' HE3' ' A' ' 50' ' ' LYS . 10.9 mt -72.89 -31.77 64.91 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.451 0.7 . . . . 0.0 112.546 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.1 -36.23 82.91 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.507 -0.746 . . . . 0.0 110.552 166.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.4 -31.08 65.24 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.81 -22.27 61.58 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.624 1.17 . . . . 0.0 113.247 173.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.62 4.33 32.64 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.426 1.09 . . . . 0.0 112.704 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.79 155.88 38.46 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.907 1.683 . . . . 0.0 112.956 169.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.79 171.8 16.61 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.911 3.074 . . . . 0.0 112.722 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.448 -1.263 . . . . 0.0 112.647 168.919 . . . . . . . . 0 0 . 1 stop_ save_