data_1dem_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 1dem _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 119.414 -0.326 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.9 148.48 75.69 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.975 3.117 . . . . 0.0 112.095 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp 55.2 68.56 0.85 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.772 2.029 . . . . 0.0 109.318 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -94.72 152.27 18.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.614 1.565 . . . . 0.0 109.812 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -67.91 -11.52 58.9 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.9 tp -68.42 -22.83 64.59 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.868 0.867 . . . . 0.0 110.809 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -86.48 -9.37 56.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.104 1.361 . . . . 0.0 111.093 178.481 -68.399 -110.329 -69.868 103.206 2.046 105.001 -46.527 -58.358 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -92.29 -13.47 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.929 1.291 . . . . 0.0 111.756 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.57 2.99 20.24 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 59.46 -176.12 0.1 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.622 1.569 . . . . 0.0 109.707 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -59.77 140.28 56.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.805 -1.185 . . . . 0.0 110.886 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 71.79 80.48 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.072 0.949 . . . . 0.0 109.925 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.05 -52.43 0.38 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 124.578 3.519 . . . . 0.0 113.951 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.03 172.1 48.03 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 126.658 2.075 . . . . 0.0 111.727 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -90.98 85.62 6.01 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.6 t -157.22 55.72 0.51 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -178.748 -163.758 136.463 91.65 106.26 2.063 109.53 -65.086 60.754 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 74.54 -2.59 2.78 Favored 'General case' 0 CA--C 1.552 1.025 1 N-CA-C 122.685 4.328 . . . . 0.0 122.685 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 69.39 110.56 0.05 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 124.014 3.097 . . . . 0.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -160.09 -16.07 0.06 Allowed 'General case' 0 C--N 1.359 1.0 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -133.33 74.33 72.3 Favored Pre-proline 0 N--CA 1.486 1.329 0 CA-C-N 122.124 2.238 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -61.13 132.66 42.75 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 CA-C-N 120.004 1.037 . . . . 0.0 111.608 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.04 -141.84 0.11 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 113.238 -1.801 . . . . 0.0 110.996 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -140.84 162.89 34.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.302 1.441 . . . . 0.0 110.761 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' CG ' ' HB3' ' A' ' 11' ' ' ARG . 5.9 p90 -142.57 155.41 44.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.675 2.79 . . . . 0.0 109.873 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.19 114.08 16.74 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -83.03 102.76 11.99 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.68 50.22 1.92 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 122.143 0.973 . . . . 0.0 110.881 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -134.02 -37.9 0.89 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 129.927 3.291 . . . . 0.0 106.265 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -95.11 -127.19 0.13 Allowed 'General case' 0 N--CA 1.427 -1.577 1 C-N-CA 132.26 4.224 . . . . 0.0 104.933 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.56 22.78 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.191 1.796 . . . . 0.0 110.632 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -158.92 173.24 16.82 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.614 1.097 . . . . 0.0 109.51 -175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.84 111.01 15.74 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 122.726 0.41 . . . . 0.0 110.373 -179.201 -135.994 103.996 63.93 103.091 2.038 100.299 161.112 -161.145 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -87.11 162.08 17.75 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.51 150.4 25.63 Favored Glycine 0 C--N 1.313 -0.739 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.061 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 11' ' ' ARG . 5.0 p90 -146.84 171.89 14.49 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 m -119.48 113.71 21.16 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.5 ' CZ3' ' HA2' ' A' ' 39' ' ' GLY . 57.9 t90 -75.21 159.16 31.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.887 1.275 . . . . 0.0 109.367 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -106.63 -70.73 0.78 Allowed 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.5 ' HA2' ' CZ3' ' A' ' 37' ' ' TRP . . . -179.15 -39.35 0.07 OUTLIER Glycine 0 C--N 1.342 0.892 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.1 p -164.68 66.11 0.14 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 117.943 0.872 . . . . 0.0 111.488 -175.505 60.754 -65.086 91.65 109.53 2.063 106.26 136.463 -163.758 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.91 160.98 31.18 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.467 -0.771 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.72 174.69 46.9 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.942 1.258 . . . . 0.0 113.064 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -70.24 -103.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.607 1.563 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -146.02 -107.16 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.037 0.935 . . . . 0.0 112.771 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 46.14 33.14 1.63 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.248 2.619 . . . . 0.0 111.913 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -91.33 103.26 15.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 128.444 2.698 . . . . 0.0 108.086 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.77 119.4 28.81 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.854 1.262 . . . . 0.0 109.003 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -66.96 -48.38 68.72 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.533 2.333 . . . . 0.0 112.949 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.23 145.73 40.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.539 1.135 . . . . 0.0 108.648 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.28 -30.58 50.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.93 -53.17 15.94 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -33.71 25.82 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 129.72 3.208 . . . . 0.0 110.483 176.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.37 -58.41 3.42 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.608 -161.145 161.112 63.93 100.299 2.038 103.091 103.996 -135.994 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.22 -23.09 65.37 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.34 -36.23 83.01 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 120.351 1.432 . . . . 0.0 113.47 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.7 m -106.69 -32.26 8.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.433 2.293 . . . . 0.0 113.14 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.5 m -96.28 -26.95 15.21 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.764 1.626 . . . . 0.0 114.126 -178.367 -58.358 -46.527 -69.868 105.001 2.046 103.206 -110.329 -68.399 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm -118.17 -8.13 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.274 1.029 . . . . 0.0 113.433 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt-85 91.01 148.99 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 130.181 3.392 . . . . 0.0 111.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.573 1.549 . . . . 0.0 107.919 178.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 119.414 -0.326 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.9 148.48 75.69 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.975 3.117 . . . . 0.0 112.095 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp 55.2 68.56 0.85 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.772 2.029 . . . . 0.0 109.318 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -94.72 152.27 18.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.614 1.565 . . . . 0.0 109.812 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -67.91 -11.52 58.9 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD11 ' HB2' ' A' ' 44' ' ' SER . 17.9 tp -68.42 -22.83 64.59 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.868 0.867 . . . . 0.0 110.809 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -86.48 -9.37 56.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.104 1.361 . . . . 0.0 111.093 178.481 -68.399 -110.329 -69.868 103.206 2.046 105.001 -46.527 -58.358 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -92.29 -13.47 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.929 1.291 . . . . 0.0 111.756 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.57 2.99 20.24 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 59.46 -176.12 0.1 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.622 1.569 . . . . 0.0 109.707 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -59.77 140.28 56.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.805 -1.185 . . . . 0.0 110.886 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 71.79 80.48 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.072 0.949 . . . . 0.0 109.925 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.05 -52.43 0.38 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 124.578 3.519 . . . . 0.0 113.951 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.03 172.1 48.03 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 126.658 2.075 . . . . 0.0 111.727 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -90.98 85.62 6.01 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.6 t -157.22 55.72 0.51 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -178.748 -163.758 136.463 91.65 106.26 2.063 109.53 -65.086 60.754 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 74.54 -2.59 2.78 Favored 'General case' 0 CA--C 1.552 1.025 1 N-CA-C 122.685 4.328 . . . . 0.0 122.685 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.39 110.56 0.05 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 124.014 3.097 . . . . 0.0 110.921 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -160.09 -16.07 0.06 Allowed 'General case' 0 C--N 1.359 1.0 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -133.33 74.33 72.3 Favored Pre-proline 0 N--CA 1.486 1.329 0 CA-C-N 122.124 2.238 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -61.13 132.66 42.75 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 CA-C-N 120.004 1.037 . . . . 0.0 111.608 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.04 -141.84 0.11 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 113.238 -1.801 . . . . 0.0 110.996 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -140.84 162.89 34.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.302 1.441 . . . . 0.0 110.761 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CG ' ' HB3' ' A' ' 11' ' ' ARG . 5.9 p90 -142.57 155.41 44.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.675 2.79 . . . . 0.0 109.873 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.19 114.08 16.74 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -83.03 102.76 11.99 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.68 50.22 1.92 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 122.143 0.973 . . . . 0.0 110.881 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' H ' ' H ' ' A' ' 29' ' ' LYS . 88.2 tttt -134.02 -37.9 0.89 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 129.927 3.291 . . . . 0.0 106.265 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 30' ' ' LYS . 85.4 tttt -95.11 -127.19 0.13 Allowed 'General case' 0 N--CA 1.427 -1.577 1 C-N-CA 132.26 4.224 . . . . 0.0 104.933 176.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -171.56 22.78 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.191 1.796 . . . . 0.0 110.632 -174.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -158.92 173.24 16.82 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.614 1.097 . . . . 0.0 109.51 -175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.84 111.01 15.74 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 122.726 0.41 . . . . 0.0 110.373 -179.201 -135.994 103.996 63.93 103.091 2.038 100.299 161.112 -161.145 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -87.11 162.08 17.75 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.51 150.4 25.63 Favored Glycine 0 C--N 1.313 -0.739 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.061 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 11' ' ' ARG . 5.0 p90 -146.84 171.89 14.49 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 m -119.48 113.71 21.16 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CZ3' ' HA2' ' A' ' 39' ' ' GLY . 57.9 t90 -75.21 159.16 31.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.887 1.275 . . . . 0.0 109.367 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -106.63 -70.73 0.78 Allowed 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' HA2' ' CZ3' ' A' ' 37' ' ' TRP . . . -179.15 -39.35 0.07 OUTLIER Glycine 0 C--N 1.342 0.892 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.1 p -164.68 66.11 0.14 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 117.943 0.872 . . . . 0.0 111.488 -175.505 60.754 -65.086 91.65 109.53 2.063 106.26 136.463 -163.758 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.91 160.98 31.18 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.467 -0.771 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.72 174.69 46.9 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.942 1.258 . . . . 0.0 113.064 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -70.24 -103.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.607 1.563 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 6' ' ' LEU . 70.8 m -146.02 -107.16 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.037 0.935 . . . . 0.0 112.771 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 46.14 33.14 1.63 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.248 2.619 . . . . 0.0 111.913 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -91.33 103.26 15.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 128.444 2.698 . . . . 0.0 108.086 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.77 119.4 28.81 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.854 1.262 . . . . 0.0 109.003 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -66.96 -48.38 68.72 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.533 2.333 . . . . 0.0 112.949 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.23 145.73 40.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.539 1.135 . . . . 0.0 108.648 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.28 -30.58 50.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.93 -53.17 15.94 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -33.71 25.82 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 129.72 3.208 . . . . 0.0 110.483 176.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.37 -58.41 3.42 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.608 -161.145 161.112 63.93 100.299 2.038 103.091 103.996 -135.994 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.22 -23.09 65.37 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.34 -36.23 83.01 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 120.351 1.432 . . . . 0.0 113.47 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.7 m -106.69 -32.26 8.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.433 2.293 . . . . 0.0 113.14 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.5 m -96.28 -26.95 15.21 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.764 1.626 . . . . 0.0 114.126 -178.367 -58.358 -46.527 -69.868 105.001 2.046 103.206 -110.329 -68.399 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm -118.17 -8.13 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.274 1.029 . . . . 0.0 113.433 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt-85 91.01 148.99 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 130.181 3.392 . . . . 0.0 111.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.573 1.549 . . . . 0.0 107.919 178.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 119.414 -0.326 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.9 148.48 75.69 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.975 3.117 . . . . 0.0 112.095 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp 55.2 68.56 0.85 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.772 2.029 . . . . 0.0 109.318 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -94.72 152.27 18.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.614 1.565 . . . . 0.0 109.812 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -67.91 -11.52 58.9 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD11 ' HB2' ' A' ' 44' ' ' SER . 17.9 tp -68.42 -22.83 64.59 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.868 0.867 . . . . 0.0 110.809 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -86.48 -9.37 56.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.104 1.361 . . . . 0.0 111.093 178.481 -68.399 -110.329 -69.868 103.206 2.046 105.001 -46.527 -58.358 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mt -92.29 -13.47 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.929 1.291 . . . . 0.0 111.756 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.57 2.99 20.24 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 59.46 -176.12 0.1 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.622 1.569 . . . . 0.0 109.707 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -59.77 140.28 56.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.805 -1.185 . . . . 0.0 110.886 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -131.73 71.79 80.48 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.072 0.949 . . . . 0.0 109.925 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.05 -52.43 0.38 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 124.578 3.519 . . . . 0.0 113.951 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.03 172.1 48.03 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 126.658 2.075 . . . . 0.0 111.727 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -90.98 85.62 6.01 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.6 t -157.22 55.72 0.51 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -178.748 -163.758 136.463 91.65 106.26 2.063 109.53 -65.086 60.754 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 74.54 -2.59 2.78 Favored 'General case' 0 CA--C 1.552 1.025 1 N-CA-C 122.685 4.328 . . . . 0.0 122.685 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 69.39 110.56 0.05 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 124.014 3.097 . . . . 0.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -160.09 -16.07 0.06 Allowed 'General case' 0 C--N 1.359 1.0 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -133.33 74.33 72.3 Favored Pre-proline 0 N--CA 1.486 1.329 0 CA-C-N 122.124 2.238 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -61.13 132.66 42.75 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 CA-C-N 120.004 1.037 . . . . 0.0 111.608 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.04 -141.84 0.11 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 113.238 -1.801 . . . . 0.0 110.996 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -140.84 162.89 34.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.302 1.441 . . . . 0.0 110.761 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CG ' ' HB3' ' A' ' 11' ' ' ARG . 5.9 p90 -142.57 155.41 44.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.675 2.79 . . . . 0.0 109.873 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.19 114.08 16.74 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -83.03 102.76 11.99 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.68 50.22 1.92 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 122.143 0.973 . . . . 0.0 110.881 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' H ' ' H ' ' A' ' 29' ' ' LYS . 88.2 tttt -134.02 -37.9 0.89 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 129.927 3.291 . . . . 0.0 106.265 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 30' ' ' LYS . 85.4 tttt -95.11 -127.19 0.13 Allowed 'General case' 0 N--CA 1.427 -1.577 1 C-N-CA 132.26 4.224 . . . . 0.0 104.933 176.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -171.56 22.78 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.191 1.796 . . . . 0.0 110.632 -174.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -158.92 173.24 16.82 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.614 1.097 . . . . 0.0 109.51 -175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.84 111.01 15.74 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 122.726 0.41 . . . . 0.0 110.373 -179.201 -135.994 103.996 63.93 103.091 2.038 100.299 161.112 -161.145 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -87.11 162.08 17.75 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 103.353 -2.832 . . . . 0.0 103.353 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.51 150.4 25.63 Favored Glycine 0 C--N 1.313 -0.739 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.061 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 11' ' ' ARG . 5.0 p90 -146.84 171.89 14.49 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 m -119.48 113.71 21.16 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CZ3' ' HA2' ' A' ' 39' ' ' GLY . 57.9 t90 -75.21 159.16 31.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.887 1.275 . . . . 0.0 109.367 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -106.63 -70.73 0.78 Allowed 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' HA2' ' CZ3' ' A' ' 37' ' ' TRP . . . -179.15 -39.35 0.07 OUTLIER Glycine 0 C--N 1.342 0.892 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.1 p -164.68 66.11 0.14 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 117.943 0.872 . . . . 0.0 111.488 -175.505 60.754 -65.086 91.65 109.53 2.063 106.26 136.463 -163.758 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.91 160.98 31.18 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.467 -0.771 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.72 174.69 46.9 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.942 1.258 . . . . 0.0 113.064 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -70.24 -103.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.607 1.563 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 6' ' ' LEU . 70.8 m -146.02 -107.16 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.037 0.935 . . . . 0.0 112.771 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 46.14 33.14 1.63 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.248 2.619 . . . . 0.0 111.913 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -91.33 103.26 15.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 128.444 2.698 . . . . 0.0 108.086 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.77 119.4 28.81 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.854 1.262 . . . . 0.0 109.003 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -66.96 -48.38 68.72 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.533 2.333 . . . . 0.0 112.949 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.23 145.73 40.52 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.539 1.135 . . . . 0.0 108.648 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.28 -30.58 50.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -70.93 -53.17 15.94 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -33.71 25.82 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 129.72 3.208 . . . . 0.0 110.483 176.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.37 -58.41 3.42 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.608 -161.145 161.112 63.93 100.299 2.038 103.091 103.996 -135.994 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.22 -23.09 65.37 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.34 -36.23 83.01 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 120.351 1.432 . . . . 0.0 113.47 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.7 m -106.69 -32.26 8.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.433 2.293 . . . . 0.0 113.14 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.5 m -96.28 -26.95 15.21 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.764 1.626 . . . . 0.0 114.126 -178.367 -58.358 -46.527 -69.868 105.001 2.046 103.206 -110.329 -68.399 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm -118.17 -8.13 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.274 1.029 . . . . 0.0 113.433 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt-85 91.01 148.99 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 130.181 3.392 . . . . 0.0 111.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.573 1.549 . . . . 0.0 107.919 178.89 . . . . . . . . 0 0 . 1 stop_ save_