data_2bn8_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 2bn8 _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 ' 21' ' ' SER . . . . . . . . . . . . . 92.9 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.812 0.339 . . . . 13.140000000000001 110.737 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -39.72 -40.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.636 -0.711 . . . . 12.17 110.99 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.4 t 38.66 90.62 0.07 OUTLIER Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 115.629 -0.714 . . . . 8.7200000000000006 111.874 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.89 52.41 3.75 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.557 2.171 . . . . 8.1699999999999999 110.515 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 23.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 9.1300000000000008 111.62 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p 49.84 -161.82 0.05 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.413 -0.358 . . . . 4.7199999999999998 111.184 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.07 108.38 18.05 Favored Pre-proline 0 C--N 1.323 -0.577 0 C-N-CA 120.786 -0.366 . . . . 6.8399999999999999 111.557 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.05 97.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.559 2.173 . . . . 4.3399999999999999 112.217 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.32 146.71 58.55 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.497 -0.32 . . . . 4.1600000000000001 110.93 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -54.28 -52.66 7.76 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 122.272 1.981 . . . . 5.7300000000000004 113.72 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -64.4 -15.8 51.68 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.462 1.442 . . . . 3.9500000000000002 112.015 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.05 84.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 6.1100000000000003 111.669 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -64.08 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.143 0.497 . . . . 5.5700000000000003 110.415 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.68 63.89 1.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.468 -0.787 . . . . 1.6599999999999999 109.494 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -71.74 109.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.648 -0.706 . . . . 2.23 110.491 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 10.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 2.7799999999999998 110.655 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.6 ttm 57.59 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 1.8400000000000001 111.125 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.4 54.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.55 . . . . 3.1699999999999999 109.985 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m 59.07 67.53 0.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 3.4900000000000002 109.879 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.45 37.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.5700000000000001 111.976 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 59.94 -92.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.902 0.705 . . . . 4.8600000000000003 112.902 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.41 26.31 10.16 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 112.599 0.592 . . . . 0.93999999999999995 112.599 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -115.55 112.84 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.17 0.509 . . . . 1.47 111.637 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -120.97 133.71 55.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 1.54 110.299 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.6 109.54 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 1.9099999999999999 110.961 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.57 126.25 45.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.99 0.424 . . . . 2.3599999999999999 110.971 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 63.6 23.75 13.7 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.557 -0.747 . . . . 3.79 111.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -21.23 44.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.52000000000000002 112.443 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -100.56 -175.6 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.588 0.232 . . . . 2.4199999999999999 110.556 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -111.95 109.86 19.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.3300000000000001 111.403 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.1 t -103.42 156.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.634 . . . . 1.73 110.765 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 144.52 47.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 1.1000000000000001 111.228 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -126.43 105.67 8.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.53000000000000003 111.24 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -177.15 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 2.0899999999999999 110.841 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -119.57 156.41 30.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 3.8500000000000001 111.436 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.01 83.18 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 2.6000000000000001 110.157 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.13 -78.15 0.18 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.786 -0.721 . . . . 2.6899999999999999 112.291 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -170.21 3.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.694 0.257 . . . . 4.46 111.694 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -101.2 -168.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 3.2200000000000002 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -145.46 82.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 3.8700000000000001 111.076 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.31 129.26 34.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.42 -0.512 . . . . 2.46 109.879 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -84.71 144.92 28.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 3.6600000000000001 112.159 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.5 p -77.62 162.17 69.3 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 1.1100000000000001 110.362 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.3 11.33 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.355 2.036 . . . . 1.6000000000000001 112.98 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 66.03 117.68 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.955 0.407 . . . . 1.1899999999999999 111.611 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -110.33 149.98 29.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.947 -0.57 . . . . 0.56999999999999995 110.826 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -72.16 -17.99 61.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.081 0.467 . . . . 1.1499999999999999 110.192 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 t -108.95 126.02 30.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 115.615 -0.72 . . . . 1.72 110.065 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.42 -52.6 4.48 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.524 2.149 . . . . 0.34999999999999998 113.553 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.47 -32.04 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.903 0.334 . . . . 2.5800000000000001 111.903 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.9 m -60.28 -36.6 78.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 1.26 110.614 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -27.29 26.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 1.1899999999999999 110.973 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.96 -55.44 14.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 2.0299999999999998 110.685 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -53.77 -51.51 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 3.8999999999999999 111.017 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -57.5 -34.03 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.48999999999999999 110.688 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.84 -40.09 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 1.1499999999999999 111.709 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.03 -35.31 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.64000000000000001 111.319 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.28 -49.34 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 2.25 111.246 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.3 tt -67.03 -8.81 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 1.1899999999999999 111.199 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -96.03 -49.75 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 2.9500000000000002 111.471 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -74.25 -54.96 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 1.3999999999999999 111.23 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.02 -15.14 54.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 2.8999999999999999 111.472 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.63 78.43 0.17 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.39 -0.91 . . . . 1.8700000000000001 111.687 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 71.92 -73.79 0.09 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.715 0.406 . . . . 3.6000000000000001 111.289 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.1 t -70.76 102.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 4.4699999999999998 111.076 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.3 m -62.96 106.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 5.3899999999999997 111.476 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.302 -0.856 . . . . 6.0599999999999996 111.037 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.9 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.812 0.339 . . . . 12.720000000000001 110.737 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -39.72 -40.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.636 -0.711 . . . . 11.99 110.99 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.4 t 38.66 90.62 0.07 OUTLIER Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 115.629 -0.714 . . . . 8.5500000000000007 111.874 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.89 52.41 3.75 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.557 2.171 . . . . 7.6299999999999999 110.515 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 23.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 8.5299999999999994 111.62 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p 49.84 -161.82 0.05 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.413 -0.358 . . . . 4.7199999999999998 111.184 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.07 108.38 18.05 Favored Pre-proline 0 C--N 1.323 -0.577 0 C-N-CA 120.786 -0.366 . . . . 6.8399999999999999 111.557 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.05 97.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.559 2.173 . . . . 4.2999999999999998 112.217 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.32 146.71 58.55 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.497 -0.32 . . . . 3.6299999999999999 110.93 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -54.28 -52.66 7.76 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 122.272 1.981 . . . . 5.21 113.72 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -64.4 -15.8 51.68 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.462 1.442 . . . . 3.3399999999999999 112.015 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.05 84.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 6.1100000000000003 111.669 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -64.08 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.143 0.497 . . . . 4.7599999999999998 110.415 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.68 63.89 1.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.468 -0.787 . . . . 1.2 109.494 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -71.74 109.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.648 -0.706 . . . . 1.6499999999999999 110.491 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 10.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 2.2200000000000002 110.655 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.6 ttm 57.59 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 1.74 111.125 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.4 54.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.55 . . . . 3.1699999999999999 109.985 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m 59.07 67.53 0.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 3.3100000000000001 109.879 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.45 37.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.5700000000000001 111.976 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 59.94 -92.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.902 0.705 . . . . 4.1699999999999999 112.902 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.41 26.31 10.16 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 112.599 0.592 . . . . 0.93999999999999995 112.599 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -115.55 112.84 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.17 0.509 . . . . 0.75 111.637 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -120.97 133.71 55.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 1.1599999999999999 110.299 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.6 109.54 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 1.3100000000000001 110.961 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.57 126.25 45.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.99 0.424 . . . . 1.75 110.971 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 63.6 23.75 13.7 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.557 -0.747 . . . . 3.3100000000000001 111.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -21.23 44.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.47999999999999998 112.443 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -100.56 -175.6 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.588 0.232 . . . . 1.8200000000000001 110.556 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -111.95 109.86 19.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.79000000000000004 111.403 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.1 t -103.42 156.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.634 . . . . 1.03 110.765 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 144.52 47.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.38 111.228 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -126.43 105.67 8.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.44 111.24 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -177.15 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.5700000000000001 110.841 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -119.57 156.41 30.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 3.4100000000000001 111.436 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.01 83.18 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 2.1899999999999999 110.157 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.13 -78.15 0.18 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.786 -0.721 . . . . 2.6899999999999999 112.291 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -170.21 3.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.694 0.257 . . . . 4.46 111.694 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -101.2 -168.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 2.8399999999999999 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -145.46 82.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 3.2000000000000002 111.076 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.31 129.26 34.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.42 -0.512 . . . . 1.8600000000000001 109.879 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -84.71 144.92 28.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 3.1299999999999999 112.159 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.5 p -77.62 162.17 69.3 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.56000000000000005 110.362 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.3 11.33 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.355 2.036 . . . . 1.6000000000000001 112.98 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 66.03 117.68 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.955 0.407 . . . . 0.60999999999999999 111.611 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -110.33 149.98 29.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.947 -0.57 . . . . 0.46999999999999997 110.826 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -72.16 -17.99 61.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.081 0.467 . . . . 0.46999999999999997 110.192 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 t -108.95 126.02 30.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 115.615 -0.72 . . . . 1.03 110.065 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.42 -52.6 4.48 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.524 2.149 . . . . 0.32000000000000001 113.553 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.47 -32.04 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.903 0.334 . . . . 2.5800000000000001 111.903 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.9 m -60.28 -36.6 78.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 1.23 110.614 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -27.29 26.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.37 110.973 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.96 -55.44 14.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 2.0299999999999998 110.685 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -53.77 -51.51 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 3.3199999999999998 111.017 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -57.5 -34.03 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.40999999999999998 110.688 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.84 -40.09 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.28999999999999998 111.709 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.03 -35.31 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.64000000000000001 111.319 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.28 -49.34 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 2.25 111.246 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.3 tt -67.03 -8.81 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 0.46000000000000002 111.199 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -96.03 -49.75 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 2.5299999999999998 111.471 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -74.25 -54.96 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 1.27 111.23 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.02 -15.14 54.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 2.8999999999999999 111.472 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.63 78.43 0.17 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.39 -0.91 . . . . 1.8700000000000001 111.687 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 71.92 -73.79 0.09 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.715 0.406 . . . . 3.6000000000000001 111.289 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.1 t -70.76 102.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 3.8700000000000001 111.076 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.3 m -62.96 106.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 4.8799999999999999 111.476 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.302 -0.856 . . . . 6.0599999999999996 111.037 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.9 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.812 0.339 . . . . 12.72 110.737 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -39.72 -40.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.636 -0.711 . . . . 11.99 110.99 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.4 t 38.66 90.62 0.07 OUTLIER Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 115.629 -0.714 . . . . 8.55 111.874 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.89 52.41 3.75 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.557 2.171 . . . . 7.63 110.515 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 23.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.757 -0.656 . . . . 8.53 111.62 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 p 49.84 -161.82 0.05 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.413 -0.358 . . . . 4.72 111.184 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.07 108.38 18.05 Favored Pre-proline 0 C--N 1.323 -0.577 0 C-N-CA 120.786 -0.366 . . . . 6.84 111.557 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -47.05 97.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.559 2.173 . . . . 4.3 112.217 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.32 146.71 58.55 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.497 -0.32 . . . . 3.63 110.93 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -54.28 -52.66 7.76 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 122.272 1.981 . . . . 5.21 113.72 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -64.4 -15.8 51.68 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.462 1.442 . . . . 3.34 112.015 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.05 84.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 6.11 111.669 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -64.08 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.143 0.497 . . . . 4.76 110.415 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.68 63.89 1.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.468 -0.787 . . . . 1.2 109.494 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -71.74 109.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.648 -0.706 . . . . 1.65 110.491 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 10.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 2.22 110.655 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.6 ttm 57.59 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 1.74 111.125 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.4 54.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.55 . . . . 3.17 109.985 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m 59.07 67.53 0.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 3.31 109.879 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.45 37.98 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.57 111.976 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 59.94 -92.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.902 0.705 . . . . 4.17 112.902 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.41 26.31 10.16 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 112.599 0.592 . . . . 0.94 112.599 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -115.55 112.84 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.17 0.509 . . . . 0.75 111.637 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -120.97 133.71 55.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 1.16 110.299 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.6 109.54 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 1.31 110.961 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.57 126.25 45.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.99 0.424 . . . . 1.75 110.971 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 63.6 23.75 13.7 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.557 -0.747 . . . . 3.31 111.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.63 -21.23 44.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.48 112.443 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -100.56 -175.6 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.588 0.232 . . . . 1.82 110.556 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -111.95 109.86 19.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.79 111.403 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.1 t -103.42 156.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.634 . . . . 1.03 110.765 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 144.52 47.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.38 111.228 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -126.43 105.67 8.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.44 111.24 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -177.15 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.57 110.841 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -119.57 156.41 30.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.971 0.415 . . . . 3.41 111.436 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.01 83.18 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 2.19 110.157 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.13 -78.15 0.18 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.786 -0.721 . . . . 2.69 112.291 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -170.21 3.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.694 0.257 . . . . 4.46 111.694 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -101.2 -168.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 2.84 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -145.46 82.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 3.2 111.076 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.31 129.26 34.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.42 -0.512 . . . . 1.86 109.879 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -84.71 144.92 28.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 3.13 112.159 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.5 p -77.62 162.17 69.3 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.56 110.362 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.3 11.33 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.355 2.036 . . . . 1.6 112.98 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 66.03 117.68 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.955 0.407 . . . . 0.61 111.611 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -110.33 149.98 29.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.947 -0.57 . . . . 0.47 110.826 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -72.16 -17.99 61.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.081 0.467 . . . . 0.47 110.192 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 t -108.95 126.02 30.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 115.615 -0.72 . . . . 1.03 110.065 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.42 -52.6 4.48 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.524 2.149 . . . . 0.32 113.553 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.47 -32.04 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.903 0.334 . . . . 2.58 111.903 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.9 m -60.28 -36.6 78.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 1.23 110.614 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -27.29 26.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.37 110.973 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.96 -55.44 14.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 2.03 110.685 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -53.77 -51.51 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 3.32 111.017 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -57.5 -34.03 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.41 110.688 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.84 -40.09 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.29 111.709 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.03 -35.31 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 0.64 111.319 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.28 -49.34 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 2.25 111.246 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.3 tt -67.03 -8.81 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 0.46 111.199 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -96.03 -49.75 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 2.53 111.471 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -74.25 -54.96 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 1.27 111.23 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.02 -15.14 54.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 2.9 111.472 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.63 78.43 0.17 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.39 -0.91 . . . . 1.87 111.687 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 71.92 -73.79 0.09 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.715 0.406 . . . . 3.6 111.289 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.1 t -70.76 102.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 3.87 111.076 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.3 m -62.96 106.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 4.88 111.476 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.302 -0.856 . . . . 6.06 111.037 179.57 . . . . . . . . 1 1 . 1 stop_ save_