data_1qpu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1qpu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 117.28 -1.343 . . . . 1.0 107.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -90.91 0.09 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 102.585 -3.117 . . . . 1.0 102.585 151.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 173.79 -41.79 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 128.307 2.643 . . . . 1.0 106.293 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -55.06 -44.7 74.99 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 127.829 2.452 . . . . 1.0 110.82 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -79.85 -27.53 40.13 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.609 1.564 . . . . 1.0 108.519 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -79.0 -32.23 45.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 118.923 -1.111 . . . . 1.0 110.322 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.4 mmt -75.65 -46.51 31.02 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.228 1.011 . . . . 1.0 109.473 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -63.14 -37.65 88.05 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 119.403 -0.919 . . . . 1.0 109.416 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -66.99 -42.41 85.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.302 0.955 . . . . 1.0 109.894 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -32.14 55.95 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 120.994 -1.066 . . . . 1.0 110.616 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -78.56 -43.13 27.4 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.901 0.382 . . . . 1.0 110.802 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' OD1' ' HE2' ' A' ' 15' ' ' LYS . 33.6 t70 -61.12 -45.25 95.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.002 0.921 . . . . 1.0 108.858 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -59.32 -39.64 83.73 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.531 0.733 . . . . 1.0 111.124 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -34.93 78.87 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HE2' ' OD1' ' A' ' 12' ' ' ASP . 2.0 tttt -68.26 -35.28 77.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.873 -1.142 . . . . 1.0 108.853 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.82 -35.57 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 118.906 -1.118 . . . . 1.0 108.065 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 tt -66.55 -29.04 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.662 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.44 -6.75 45.78 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.654 -0.654 . . . . 1.0 112.524 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -119.05 -36.63 3.36 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.326 -0.859 . . . . 1.0 112.742 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 114.41 8.19 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 106.617 -1.623 . . . . 1.0 106.617 -164.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -89.11 4.79 47.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.829 0.823 . . . . 1.0 109.897 -172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -138.62 151.62 47.4 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 122.585 1.183 . . . . 1.0 109.211 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -26.86 68.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.192 -1.367 . . . . 1.0 110.317 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.91 -63.82 1.05 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.265 0.626 . . . . 1.0 110.559 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -68.46 -37.4 80.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.918 0.487 . . . . 1.0 111.027 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -55.13 -42.35 64.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 118.577 0.626 . . . . 1.0 109.54 174.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -77.7 -37.52 49.34 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.426 -0.796 . . . . 1.0 112.168 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -64.94 -44.96 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.274 1.035 . . . . 1.0 108.906 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.99 -50.99 68.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.068 -1.02 . . . . 1.0 110.847 171.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.91 -26.69 67.64 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.828 -1.17 . . . . 1.0 111.63 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -59.69 -48.15 82.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.329 0.652 . . . . 1.0 109.435 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -62.37 -32.1 72.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.621 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.56 88.48 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 118.471 0.578 . . . . 1.0 110.333 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -61.65 -46.27 90.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.073 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.46 83.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.941 0.497 . . . . 1.0 111.034 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.78 71.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.31 -0.869 . . . . 1.0 111.424 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.24 -34.66 68.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.243 -0.911 . . . . 1.0 109.676 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.57 -40.46 92.8 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.606 1.562 . . . . 1.0 107.006 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -81.84 -35.39 29.45 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 121.836 0.827 . . . . 1.0 110.369 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.433 -0.792 . . . . 1.0 111.867 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.52 -18.29 65.28 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.607 -0.683 . . . . 1.0 110.502 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -102.33 24.19 10.64 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.084 1.754 . . . . 1.0 111.147 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.48 11.08 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.9 m -115.36 118.02 40.18 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 109.09 -0.707 . . . . 1.0 109.09 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CE2' ' A' ' 61' ' ' PHE . 86.8 Cg_endo -79.66 129.65 8.38 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.747 2.965 . . . . 1.0 110.867 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -64.57 -28.72 61.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.258 2.638 . . . . 1.0 112.038 -176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -56.24 -27.74 56.07 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.567 -0.708 . . . . 1.0 111.583 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD12 ' CE1' ' A' ' 105' ' ' TYR . 83.4 mt -128.71 30.62 5.09 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.166 0.987 . . . . 1.0 108.926 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.64 -42.76 50.64 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 118.289 -1.364 . . . . 1.0 110.411 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.27 9.86 1.87 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 122.345 1.069 . . . . 1.0 111.86 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 171.61 7.39 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 120.065 -1.647 . . . . 1.0 110.519 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.75 149.52 11.19 Favored Pre-proline 0 N--CA 1.441 -0.921 0 CA-C-N 114.193 -1.367 . . . . 1.0 108.335 165.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.76 -48.32 9.14 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.286 2.657 . . . . 1.0 109.392 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.82 35.55 4.04 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 105.823 -1.918 . . . . 1.0 105.823 -172.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.74 127.75 89.33 Favored Pre-proline 0 C--N 1.35 0.588 0 C-N-CA 117.112 -1.835 . . . . 1.0 106.853 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -61.3 -8.04 9.63 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 124.045 3.163 . . . . 1.0 113.339 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . 0.352 17.9 mt-10 -98.68 -38.39 9.13 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 128.223 2.609 . . . . 1.0 112.983 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.416 ' O ' ' CD2' ' A' ' 61' ' ' PHE 0.28 1.8 tmm? -75.33 -42.59 54.1 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.513 2.578 . . . . 1.0 107.037 -175.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.24 -33.14 71.86 Favored 'General case' 0 N--CA 1.414 -2.267 0 CA-C-N 111.489 -2.596 . . . . 1.0 109.954 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.29 24.16 12.55 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 113.547 -1.661 . . . . 1.0 107.999 -177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CE2' ' CD ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -65.74 -28.23 68.89 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.004 1.383 . . . . 1.0 107.282 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -24.16 -26.63 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 129.015 2.926 . . . . 1.0 116.291 151.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -35.7 67.31 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.624 1.57 . . . . 1.0 109.213 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.79 -39.8 23.66 Favored Glycine 0 CA--C 1.494 -1.259 0 N-CA-C 111.071 -0.811 . . . . 1.0 111.071 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -61.74 -32.88 73.15 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.592 168.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.63 -42.92 63.91 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.285 1.402 . . . . 1.0 108.965 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.51 -43.4 77.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.543 1.137 . . . . 1.0 110.199 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.26 -53.1 15.46 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.315 1.446 . . . . 1.0 108.065 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -32.02 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.7 57.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.21 -1.156 . . . . 1.0 110.21 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -68.73 -23.97 64.41 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 121.929 -0.748 . . . . 1.0 111.652 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.03 -36.4 68.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 119.72 1.146 . . . . 1.0 108.684 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.78 -42.33 77.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -63.41 -44.54 94.35 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.14 0.495 . . . . 1.0 109.949 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.01 88.07 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.381 -0.824 . . . . 1.0 110.341 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -30.06 70.24 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.737 -0.602 . . . . 1.0 110.018 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -69.61 -16.68 63.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 122.729 0.412 . . . . 1.0 111.969 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.55 -63.85 1.29 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 106.136 -1.801 . . . . 1.0 106.136 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.59 77.23 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.734 -0.604 . . . . 1.0 112.384 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.83 -29.47 70.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 118.449 0.568 . . . . 1.0 110.636 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.34 -20.54 34.11 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.233 -0.587 . . . . 1.0 111.175 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.07 -4.7 16.08 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 123.979 0.8 . . . . 1.0 112.257 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -75.76 44.89 0.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.097 1.359 . . . . 1.0 111.795 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.6 p -38.56 -41.22 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.292 1.437 . . . . 1.0 112.621 169.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -56.99 -58.45 8.11 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.868 -0.52 . . . . 1.0 112.29 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.6 -27.7 69.42 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 -173.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.44 79.8 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.935 -0.478 . . . . 1.0 109.84 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -39.66 94.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.862 1.265 . . . . 1.0 109.824 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.52 63.09 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 120.978 -1.076 . . . . 1.0 110.649 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.2 -14.28 62.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.31 -0.869 . . . . 1.0 111.683 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.59 -31.55 71.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.779 1.172 . . . . 1.0 110.738 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -61.1 -31.78 71.46 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.604 -0.685 . . . . 1.0 110.34 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.61 -31.0 69.85 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 120.467 -1.396 . . . . 1.0 111.291 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.06 -23.39 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 120.857 -1.152 . . . . 1.0 109.908 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -73.44 -21.3 60.5 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 118.75 -0.643 . . . . 1.0 111.783 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -42.86 78.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 120.527 1.512 . . . . 1.0 107.18 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 98.8 m -73.46 -18.97 61.06 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 118.11 -1.436 . . . . 1.0 109.763 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.11 -10.34 53.1 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.367 -0.833 . . . . 1.0 112.505 166.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.74 -62.74 1.49 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 121.655 2.025 . . . . 1.0 109.97 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -58.87 6.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.943 0.497 . . . . 1.0 110.216 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -25.61 65.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 116.817 -1.953 . . . . 1.0 111.012 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -61.93 -39.94 93.8 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.731 -0.788 . . . . 1.0 109.965 171.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -57.22 -38.44 73.74 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 121.523 1.965 . . . . 1.0 111.37 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -68.67 -40.79 79.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 118.649 -1.22 . . . . 1.0 109.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.464 ' CE1' HD12 ' A' ' 48' ' ' LEU . 18.3 m-85 -132.34 22.83 4.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -157.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HG2' ' C3D' ' A' ' 107' ' ' HEM 0.743 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.213 0 C-N-CA 127.033 2.133 . . . . 1.0 112.228 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HEM . . . . . 0.554 ' C3D' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HB1' ' ND2' ' A' ' 6' ' ' ASN . . . . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 117.28 -1.343 . . . . 1.0 107.864 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -90.91 0.09 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 102.585 -3.117 . . . . 1.0 102.585 151.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD12 ' HB1' ' A' ' 43' ' ' ALA . 0.8 OUTLIER 173.79 -41.79 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 128.307 2.643 . . . . 1.0 106.293 171.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -55.06 -44.7 74.99 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 127.829 2.452 . . . . 1.0 110.82 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -79.85 -27.53 40.13 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.609 1.564 . . . . 1.0 108.519 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.4 ' ND2' ' HB1' ' A' ' 1' ' ' ALA . 94.5 m-20 -79.0 -32.23 45.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 118.923 -1.111 . . . . 1.0 110.322 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.4 mmt -75.65 -46.51 31.02 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.228 1.011 . . . . 1.0 109.473 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -63.14 -37.65 88.05 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 119.403 -0.919 . . . . 1.0 109.416 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -66.99 -42.41 85.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.302 0.955 . . . . 1.0 109.894 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -32.14 55.95 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 120.994 -1.066 . . . . 1.0 110.616 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -78.56 -43.13 27.4 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.901 0.382 . . . . 1.0 110.802 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.12 -45.25 95.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.002 0.921 . . . . 1.0 108.858 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -59.32 -39.64 83.73 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.531 0.733 . . . . 1.0 111.124 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.52 -34.93 78.87 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 174.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -68.26 -35.28 77.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.873 -1.142 . . . . 1.0 108.853 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.82 -35.57 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 118.906 -1.118 . . . . 1.0 108.065 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' LEU . 1.4 tt -66.55 -29.04 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.662 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.44 -6.75 45.78 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.654 -0.654 . . . . 1.0 112.524 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -119.05 -36.63 3.36 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.326 -0.859 . . . . 1.0 112.742 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HB3' HG23 ' A' ' 26' ' ' VAL . . . -70.06 114.41 8.19 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 106.617 -1.623 . . . . 1.0 106.617 -164.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -89.11 4.79 47.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.829 0.823 . . . . 1.0 109.897 -172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -138.62 151.62 47.4 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 122.585 1.183 . . . . 1.0 109.211 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -26.86 68.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.192 -1.367 . . . . 1.0 110.317 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.91 -63.82 1.05 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.265 0.626 . . . . 1.0 110.559 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -68.46 -37.4 80.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.918 0.487 . . . . 1.0 111.027 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.469 HG21 HG23 ' A' ' 84' ' ' VAL . 5.6 t -55.13 -42.35 64.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 118.577 0.626 . . . . 1.0 109.54 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -77.7 -37.52 49.34 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.426 -0.796 . . . . 1.0 112.168 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -64.94 -44.96 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.274 1.035 . . . . 1.0 108.906 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.99 -50.99 68.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.068 -1.02 . . . . 1.0 110.847 171.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.91 -26.69 67.64 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.828 -1.17 . . . . 1.0 111.63 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -59.69 -48.15 82.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.329 0.652 . . . . 1.0 109.435 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -62.37 -32.1 72.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.621 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.56 88.48 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 118.471 0.578 . . . . 1.0 110.333 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -61.65 -46.27 90.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.073 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.46 83.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.941 0.497 . . . . 1.0 111.034 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.78 71.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.31 -0.869 . . . . 1.0 111.424 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.24 -34.66 68.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.243 -0.911 . . . . 1.0 109.676 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.9 tm? -65.57 -40.46 92.8 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.606 1.562 . . . . 1.0 107.006 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -81.84 -35.39 29.45 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 121.836 0.827 . . . . 1.0 110.369 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.433 -0.792 . . . . 1.0 111.867 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.52 -18.29 65.28 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.607 -0.683 . . . . 1.0 110.502 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -102.33 24.19 10.64 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.084 1.754 . . . . 1.0 111.147 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.53 ' HB1' HD12 ' A' ' 3' ' ' LEU . . . -119.91 168.48 11.08 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.9 m -115.36 118.02 40.18 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 109.09 -0.707 . . . . 1.0 109.09 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 86.8 Cg_endo -79.66 129.65 8.38 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.747 2.965 . . . . 1.0 110.867 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -64.57 -28.72 61.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.258 2.638 . . . . 1.0 112.038 -176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 105' ' ' TYR . 16.1 tptm -56.24 -27.74 56.07 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.567 -0.708 . . . . 1.0 111.583 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.644 HD11 ' CE1' ' A' ' 105' ' ' TYR . 83.4 mt -128.71 30.62 5.09 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.166 0.987 . . . . 1.0 108.926 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.64 -42.76 50.64 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 118.289 -1.364 . . . . 1.0 110.411 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.27 9.86 1.87 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 122.345 1.069 . . . . 1.0 111.86 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG3' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -68.62 171.61 7.39 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 120.065 -1.647 . . . . 1.0 110.519 -178.338 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.75 149.52 11.19 Favored Pre-proline 0 N--CA 1.441 -0.921 0 CA-C-N 114.193 -1.367 . . . . 1.0 108.335 165.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.76 -48.32 9.14 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.286 2.657 . . . . 1.0 109.392 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.82 35.55 4.04 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 105.823 -1.918 . . . . 1.0 105.823 -172.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.74 127.75 89.33 Favored Pre-proline 0 C--N 1.35 0.588 0 C-N-CA 117.112 -1.835 . . . . 1.0 106.853 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -61.3 -8.04 9.63 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 124.045 3.163 . . . . 1.0 113.339 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . 0.352 17.9 mt-10 -98.68 -38.39 9.13 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 128.223 2.609 . . . . 1.0 112.983 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.416 ' O ' ' CD2' ' A' ' 61' ' ' PHE 0.28 1.8 tmm? -75.33 -42.59 54.1 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.513 2.578 . . . . 1.0 107.037 -175.472 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.24 -33.14 71.86 Favored 'General case' 0 N--CA 1.414 -2.267 0 CA-C-N 111.489 -2.596 . . . . 1.0 109.954 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.29 24.16 12.55 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 113.547 -1.661 . . . . 1.0 107.999 -177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -65.74 -28.23 68.89 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.004 1.383 . . . . 1.0 107.282 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -24.16 -26.63 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 129.015 2.926 . . . . 1.0 116.291 151.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -35.7 67.31 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.624 1.57 . . . . 1.0 109.213 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.79 -39.8 23.66 Favored Glycine 0 CA--C 1.494 -1.259 0 N-CA-C 111.071 -0.811 . . . . 1.0 111.071 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -61.74 -32.88 73.15 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.592 168.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.63 -42.92 63.91 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.285 1.402 . . . . 1.0 108.965 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.51 -43.4 77.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.543 1.137 . . . . 1.0 110.199 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD21 ' HAB' ' A' ' 107' ' ' HEM . 36.1 tp -71.26 -53.1 15.46 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.315 1.446 . . . . 1.0 108.065 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -32.02 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.7 57.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.21 -1.156 . . . . 1.0 110.21 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -68.73 -23.97 64.41 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 121.929 -0.748 . . . . 1.0 111.652 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.03 -36.4 68.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 119.72 1.146 . . . . 1.0 108.684 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.78 -42.33 77.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -63.41 -44.54 94.35 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.14 0.495 . . . . 1.0 109.949 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.01 88.07 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.381 -0.824 . . . . 1.0 110.341 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -30.06 70.24 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.737 -0.602 . . . . 1.0 110.018 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -69.61 -16.68 63.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 122.729 0.412 . . . . 1.0 111.969 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.55 -63.85 1.29 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 106.136 -1.801 . . . . 1.0 106.136 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.59 77.23 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.734 -0.604 . . . . 1.0 112.384 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.83 -29.47 70.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 118.449 0.568 . . . . 1.0 110.636 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.34 -20.54 34.11 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.233 -0.587 . . . . 1.0 111.175 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.07 -4.7 16.08 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 123.979 0.8 . . . . 1.0 112.257 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -75.76 44.89 0.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.097 1.359 . . . . 1.0 111.795 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 26' ' ' VAL . 8.6 p -38.56 -41.22 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.292 1.437 . . . . 1.0 112.621 169.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -56.99 -58.45 8.11 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.868 -0.52 . . . . 1.0 112.29 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.6 -27.7 69.42 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 -173.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.44 79.8 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.935 -0.478 . . . . 1.0 109.84 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -39.66 94.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.862 1.265 . . . . 1.0 109.824 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.52 63.09 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 120.978 -1.076 . . . . 1.0 110.649 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.2 -14.28 62.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.31 -0.869 . . . . 1.0 111.683 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.59 -31.55 71.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.779 1.172 . . . . 1.0 110.738 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -61.1 -31.78 71.46 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.604 -0.685 . . . . 1.0 110.34 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -68.61 -31.0 69.85 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 120.467 -1.396 . . . . 1.0 111.291 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.06 -23.39 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 120.857 -1.152 . . . . 1.0 109.908 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -73.44 -21.3 60.5 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 118.75 -0.643 . . . . 1.0 111.783 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -42.86 78.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 120.527 1.512 . . . . 1.0 107.18 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.443 HG22 HMC1 ' A' ' 107' ' ' HEM . 98.8 m -73.46 -18.97 61.06 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 118.11 -1.436 . . . . 1.0 109.763 -174.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.11 -10.34 53.1 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.367 -0.833 . . . . 1.0 112.505 166.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.74 -62.74 1.49 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 121.655 2.025 . . . . 1.0 109.97 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -58.87 6.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.943 0.497 . . . . 1.0 110.216 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -25.61 65.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 116.817 -1.953 . . . . 1.0 111.012 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -61.93 -39.94 93.8 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.731 -0.788 . . . . 1.0 109.965 171.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -57.22 -38.44 73.74 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 121.523 1.965 . . . . 1.0 111.37 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -68.67 -40.79 79.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 118.649 -1.22 . . . . 1.0 109.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.644 ' CE1' HD11 ' A' ' 48' ' ' LEU . 18.3 m-85 -132.34 22.83 4.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -157.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.645 ' HG2' ' C3D' ' A' ' 107' ' ' HEM 0.743 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.213 0 C-N-CA 127.033 2.133 . . . . 1.0 112.228 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HEM . . . . . 0.673 HBB2 HMB1 ' A' ' 107' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HB1' ' ND2' ' A' ' 6' ' ' ASN . . . . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 117.28 -1.343 . . . . 1.0 107.864 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -90.91 0.09 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 102.585 -3.117 . . . . 1.0 102.585 151.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD12 ' HB1' ' A' ' 43' ' ' ALA . 0.8 OUTLIER 173.79 -41.79 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 128.307 2.643 . . . . 1.0 106.293 171.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -55.06 -44.7 74.99 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 127.829 2.452 . . . . 1.0 110.82 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -79.85 -27.53 40.13 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.609 1.564 . . . . 1.0 108.519 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.4 ' ND2' ' HB1' ' A' ' 1' ' ' ALA . 94.5 m-20 -79.0 -32.23 45.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 118.923 -1.111 . . . . 1.0 110.322 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.4 mmt -75.65 -46.51 31.02 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.228 1.011 . . . . 1.0 109.473 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -63.14 -37.65 88.05 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 119.403 -0.919 . . . . 1.0 109.416 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -66.99 -42.41 85.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.302 0.955 . . . . 1.0 109.894 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -32.14 55.95 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 120.994 -1.066 . . . . 1.0 110.616 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -78.56 -43.13 27.4 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.901 0.382 . . . . 1.0 110.802 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.12 -45.25 95.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.002 0.921 . . . . 1.0 108.858 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -59.32 -39.64 83.73 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.531 0.733 . . . . 1.0 111.124 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -63.52 -34.93 78.87 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 174.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -68.26 -35.28 77.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.873 -1.142 . . . . 1.0 108.853 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 t -64.82 -35.57 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 118.906 -1.118 . . . . 1.0 108.065 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' LEU . 1.4 tt -66.55 -29.04 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.662 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.44 -6.75 45.78 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.654 -0.654 . . . . 1.0 112.524 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -119.05 -36.63 3.36 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.326 -0.859 . . . . 1.0 112.742 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HB3' HG23 ' A' ' 26' ' ' VAL . . . -70.06 114.41 8.19 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 106.617 -1.623 . . . . 1.0 106.617 -164.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -89.11 4.79 47.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.829 0.823 . . . . 1.0 109.897 -172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -138.62 151.62 47.4 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 122.585 1.183 . . . . 1.0 109.211 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -26.86 68.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.192 -1.367 . . . . 1.0 110.317 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.91 -63.82 1.05 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.265 0.626 . . . . 1.0 110.559 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -68.46 -37.4 80.14 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.918 0.487 . . . . 1.0 111.027 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.469 HG21 HG23 ' A' ' 84' ' ' VAL . 5.6 t -55.13 -42.35 64.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 118.577 0.626 . . . . 1.0 109.54 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -77.7 -37.52 49.34 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.426 -0.796 . . . . 1.0 112.168 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -64.94 -44.96 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.274 1.035 . . . . 1.0 108.906 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.99 -50.99 68.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.068 -1.02 . . . . 1.0 110.847 171.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.91 -26.69 67.64 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.828 -1.17 . . . . 1.0 111.63 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -59.69 -48.15 82.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.329 0.652 . . . . 1.0 109.435 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -62.37 -32.1 72.85 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.621 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -46.56 88.48 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 118.471 0.578 . . . . 1.0 110.333 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -61.65 -46.27 90.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.073 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.46 83.03 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.941 0.497 . . . . 1.0 111.034 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.78 71.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.31 -0.869 . . . . 1.0 111.424 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.24 -34.66 68.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.243 -0.911 . . . . 1.0 109.676 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.9 tm? -65.57 -40.46 92.8 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.606 1.562 . . . . 1.0 107.006 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -81.84 -35.39 29.45 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 121.836 0.827 . . . . 1.0 110.369 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.433 -0.792 . . . . 1.0 111.867 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.52 -18.29 65.28 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.607 -0.683 . . . . 1.0 110.502 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -102.33 24.19 10.64 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.084 1.754 . . . . 1.0 111.147 176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.53 ' HB1' HD12 ' A' ' 3' ' ' LEU . . . -119.91 168.48 11.08 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.9 m -115.36 118.02 40.18 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 109.09 -0.707 . . . . 1.0 109.09 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 86.8 Cg_endo -79.66 129.65 8.38 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.747 2.965 . . . . 1.0 110.867 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -64.57 -28.72 61.35 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.258 2.638 . . . . 1.0 112.038 -176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 105' ' ' TYR . 16.1 tptm -56.24 -27.74 56.07 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.567 -0.708 . . . . 1.0 111.583 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.644 HD11 ' CE1' ' A' ' 105' ' ' TYR . 83.4 mt -128.71 30.62 5.09 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.166 0.987 . . . . 1.0 108.926 -177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.64 -42.76 50.64 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 118.289 -1.364 . . . . 1.0 110.411 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.27 9.86 1.87 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 122.345 1.069 . . . . 1.0 111.86 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' HG3' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -68.62 171.61 7.39 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 120.065 -1.647 . . . . 1.0 110.519 -178.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.75 149.52 11.19 Favored Pre-proline 0 N--CA 1.441 -0.921 0 CA-C-N 114.193 -1.367 . . . . 1.0 108.335 165.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.76 -48.32 9.14 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.286 2.657 . . . . 1.0 109.392 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.82 35.55 4.04 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 105.823 -1.918 . . . . 1.0 105.823 -172.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.74 127.75 89.33 Favored Pre-proline 0 C--N 1.35 0.588 0 C-N-CA 117.112 -1.835 . . . . 1.0 106.853 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -61.3 -8.04 9.63 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 124.045 3.163 . . . . 1.0 113.339 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . 0.352 17.9 mt-10 -98.68 -38.39 9.13 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 128.223 2.609 . . . . 1.0 112.983 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.416 ' O ' ' CD2' ' A' ' 61' ' ' PHE 0.28 1.8 tmm? -75.33 -42.59 54.1 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.513 2.578 . . . . 1.0 107.037 -175.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.24 -33.14 71.86 Favored 'General case' 0 N--CA 1.414 -2.267 0 CA-C-N 111.489 -2.596 . . . . 1.0 109.954 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.29 24.16 12.55 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 113.547 -1.661 . . . . 1.0 107.999 -177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -65.74 -28.23 68.89 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.004 1.383 . . . . 1.0 107.282 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -24.16 -26.63 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 129.015 2.926 . . . . 1.0 116.291 151.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -35.7 67.31 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.624 1.57 . . . . 1.0 109.213 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.79 -39.8 23.66 Favored Glycine 0 CA--C 1.494 -1.259 0 N-CA-C 111.071 -0.811 . . . . 1.0 111.071 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -61.74 -32.88 73.15 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.592 168.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.63 -42.92 63.91 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.285 1.402 . . . . 1.0 108.965 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.51 -43.4 77.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.543 1.137 . . . . 1.0 110.199 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD21 ' HAB' ' A' ' 107' ' ' HEM . 36.1 tp -71.26 -53.1 15.46 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.315 1.446 . . . . 1.0 108.065 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -32.02 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.7 57.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.21 -1.156 . . . . 1.0 110.21 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -68.73 -23.97 64.41 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 121.929 -0.748 . . . . 1.0 111.652 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.03 -36.4 68.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 119.72 1.146 . . . . 1.0 108.684 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -68.78 -42.33 77.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -63.41 -44.54 94.35 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.14 0.495 . . . . 1.0 109.949 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.01 88.07 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.381 -0.824 . . . . 1.0 110.341 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -30.06 70.24 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.737 -0.602 . . . . 1.0 110.018 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -69.61 -16.68 63.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 122.729 0.412 . . . . 1.0 111.969 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.55 -63.85 1.29 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 106.136 -1.801 . . . . 1.0 106.136 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.59 77.23 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.734 -0.604 . . . . 1.0 112.384 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.83 -29.47 70.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 118.449 0.568 . . . . 1.0 110.636 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.34 -20.54 34.11 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.233 -0.587 . . . . 1.0 111.175 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.07 -4.7 16.08 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 123.979 0.8 . . . . 1.0 112.257 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -75.76 44.89 0.31 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.097 1.359 . . . . 1.0 111.795 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 26' ' ' VAL . 8.6 p -38.56 -41.22 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.292 1.437 . . . . 1.0 112.621 169.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -56.99 -58.45 8.11 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 121.868 -0.52 . . . . 1.0 112.29 173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.6 -27.7 69.42 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 -173.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.44 79.8 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.935 -0.478 . . . . 1.0 109.84 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -39.66 94.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.862 1.265 . . . . 1.0 109.824 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.52 63.09 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 120.978 -1.076 . . . . 1.0 110.649 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.2 -14.28 62.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.31 -0.869 . . . . 1.0 111.683 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.59 -31.55 71.61 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.779 1.172 . . . . 1.0 110.738 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -61.1 -31.78 71.46 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.604 -0.685 . . . . 1.0 110.34 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' HA ' HE21 ' A' ' 93' ' ' GLN . 1.1 mm-40 -68.61 -31.0 69.85 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 120.467 -1.396 . . . . 1.0 111.291 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.06 -23.39 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 120.857 -1.152 . . . . 1.0 109.908 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -73.44 -21.3 60.5 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 118.75 -0.643 . . . . 1.0 111.783 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -42.86 78.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 120.527 1.512 . . . . 1.0 107.18 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.443 HG22 HMC1 ' A' ' 107' ' ' HEM . 98.8 m -73.46 -18.97 61.06 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 118.11 -1.436 . . . . 1.0 109.763 -174.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.11 -10.34 53.1 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.367 -0.833 . . . . 1.0 112.505 166.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.74 -62.74 1.49 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 121.655 2.025 . . . . 1.0 109.97 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -58.87 6.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.943 0.497 . . . . 1.0 110.216 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -25.61 65.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 116.817 -1.953 . . . . 1.0 111.012 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -61.93 -39.94 93.8 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 119.731 -0.788 . . . . 1.0 109.965 171.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -57.22 -38.44 73.74 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 121.523 1.965 . . . . 1.0 111.37 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -68.67 -40.79 79.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 118.649 -1.22 . . . . 1.0 109.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.644 ' CE1' HD11 ' A' ' 48' ' ' LEU . 18.3 m-85 -132.34 22.83 4.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -157.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.645 ' HG2' ' C3D' ' A' ' 107' ' ' HEM 0.743 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.213 0 C-N-CA 127.033 2.133 . . . . 1.0 112.228 -176.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HEM . . . . . 0.673 HBB2 HMB1 ' A' ' 107' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_