data_1prb_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 1prb _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' ' ' THR . . . . . 1.254 ' O ' ' CG2' ' A' ' 2' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.475 0.655 . . . . 8.0199999999999996 109.811 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 1.254 ' CG2' ' O ' ' A' ' 1' ' ' THR . 0.0 OUTLIER 79.81 -5.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 5.2599999999999998 109.646 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -34.42 -36.52 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.194 -0.941 . . . . 6.0199999999999996 108.935 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.606 ' O ' ' C ' ' A' ' 5' ' ' TRP . 11.1 mp0 -42.89 -18.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.037 -1.098 . . . . 6.8200000000000003 108.037 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 1.309 ' O ' ' N ' ' A' ' 7' ' ' LEU . 4.2 t90 -26.27 -91.8 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.885 -0.509 . . . . 5.9299999999999997 109.714 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.947 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 1.5 mt 36.65 -28.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 4.0899999999999999 109.772 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.336 HD12 ' CG2' ' A' ' 41' ' ' VAL . 0.2 OUTLIER 83.56 4.81 0.82 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 2.6499999999999999 109.506 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -77.55 49.12 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.177 -0.952 . . . . 3.04 109.921 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 1.224 ' OD1' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -111.79 -61.2 1.74 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.13 -0.981 . . . . 2.1299999999999999 108.901 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' H ' ' CG ' ' A' ' 9' ' ' ASN . . . -80.36 5.53 14.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.308 -0.87 . . . . 1.9199999999999999 108.979 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 1.044 ' HE3' ' HB3' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -53.04 -76.76 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.334 -0.854 . . . . 2.77 109.641 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.573 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.5 tt0 -67.08 -42.55 84.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 2.8799999999999999 109.731 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -43.97 -55.96 4.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 2.2599999999999998 109.722 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.11 -59.13 3.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 1.5600000000000001 109.705 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.936 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 97.2 mt -48.48 -32.39 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 1.6399999999999999 109.697 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 12' ' ' GLU . . . -62.71 -22.98 66.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 1.7 109.105 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.667 ' C ' HD21 ' A' ' 18' ' ' LEU . 11.2 tt0 -100.27 0.48 40.31 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.803 -0.814 . . . . 2.8199999999999998 108.803 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 1.061 HD13 ' HG3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -97.01 -54.91 3.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.513 -0.742 . . . . 3.0 109.423 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -45.0 -34.91 2.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 3.6800000000000002 109.825 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.36 -29.93 33.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.184 -0.947 . . . . 3.8500000000000001 109.541 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.21 28.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 1.77 109.441 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.83 -21.71 29.32 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.491 -1.444 . . . . 1.6899999999999999 109.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 1.004 HD11 HG23 ' A' ' 48' ' ' ILE . 19.6 mt -77.11 126.09 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -1.093 . . . . 1.8100000000000001 109.486 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.92 13.5 7.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 1.8200000000000001 109.447 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 149.05 45.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 1.74 109.336 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.86 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 1.3 m-20 -90.67 -14.2 32.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.5800000000000001 109.526 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 1.216 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -73.82 -5.51 41.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.305 -0.872 . . . . 2.5 109.339 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 1.293 ' CD2' HG12 ' A' ' 48' ' ' ILE . 20.7 m-30 -112.03 -40.39 4.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.532 -0.914 . . . . 2.27 108.532 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.936 ' CZ ' HG22 ' A' ' 15' ' ' ILE . 2.7 m-30 -78.79 -40.59 32.67 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.264 -0.643 . . . . 2.3900000000000001 109.264 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.86 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -68.72 -53.73 20.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.312 -0.868 . . . . 2.3599999999999999 109.564 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.92 -3.92 2.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 1.4199999999999999 109.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.979 HD13 ' CD ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -70.32 -51.87 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 2.21 109.51 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 1.044 ' HB3' ' HE3' ' A' ' 11' ' ' LYS . 1.7 p-10 -71.72 -9.91 58.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 3.4900000000000002 109.496 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' O ' ' O ' ' A' ' 35' ' ' ALA . 4.4 mttt -85.63 -25.1 26.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.89 . . . . 3.54 109.209 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.709 ' O ' ' O ' ' A' ' 34' ' ' LYS . . . -41.48 -179.01 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 1.8400000000000001 109.473 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' ' CH2' ' A' ' 5' ' ' TRP . 13.3 mttp -97.42 -64.9 1.0 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.198 -0.939 . . . . 3.7599999999999998 109.58 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.66 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.18 -170.22 1.93 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 2.8599999999999999 109.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.224 HG23 ' OD1' ' A' ' 9' ' ' ASN . 57.5 t -61.88 -37.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 2.1299999999999999 109.282 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.889 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 31.5 mt-10 -63.88 -28.02 69.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.339 -0.851 . . . . 3.1000000000000001 109.069 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 36' ' ' LYS . 47.1 mm-40 -80.46 -34.08 36.23 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.293 -0.88 . . . . 2.5800000000000001 108.983 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 1.336 ' CG2' HD12 ' A' ' 7' ' ' LEU . 11.8 t -72.64 -57.09 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 1.75 109.126 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.467 ' ND2' HG11 ' A' ' 38' ' ' VAL . 72.9 m-20 -61.8 -30.54 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.844 . . . . 1.8100000000000001 109.08 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.889 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -67.52 -41.38 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 1.73 109.132 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -46.84 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.302 -0.874 . . . . 2.3999999999999999 109.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.061 ' HG3' HD13 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -59.86 -32.27 70.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 3.0600000000000001 109.703 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -77.31 -19.33 56.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.228 -0.92 . . . . 1.9399999999999999 109.623 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ALA . 2.0 tt0 -81.1 -30.54 34.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.219 -0.926 . . . . 2.3199999999999998 109.354 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.293 HG12 ' CD2' ' A' ' 28' ' ' TYR . 3.1 mt -55.1 -36.21 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.165 -0.959 . . . . 1.8899999999999999 109.362 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.91 -24.27 62.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.6400000000000001 109.676 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -122.88 -21.64 5.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.194 -0.941 . . . . 3.5800000000000001 109.605 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.747 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -91.36 21.05 4.71 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 1.5 109.605 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 1.039 ' HB3' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -175.4 -22.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.972 . . . . 2.3599999999999999 109.853 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.809 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.945 -1.026 . . . . 2.6099999999999999 109.528 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 1.254 ' O ' ' CG2' ' A' ' 2' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.475 0.655 . . . . 7.7199999999999998 109.811 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.288 HD13 ' O ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER 79.81 -5.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 5.0099999999999998 109.646 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -34.42 -36.52 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.194 -0.941 . . . . 6.0199999999999996 108.935 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.606 ' O ' ' C ' ' A' ' 5' ' ' TRP . 11.1 mp0 -42.89 -18.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.037 -1.098 . . . . 6.25 108.037 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 1.309 ' O ' ' N ' ' A' ' 7' ' ' LEU . 4.2 t90 -26.27 -91.8 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.885 -0.509 . . . . 5.0499999999999998 109.714 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.948 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 1.5 mt 36.65 -28.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 3.6899999999999999 109.772 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.442 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.2 OUTLIER 83.56 4.81 0.82 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 2.2400000000000002 109.506 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -77.55 49.12 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.177 -0.952 . . . . 2.5499999999999998 109.921 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 1.111 ' OD1' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -111.79 -61.2 1.74 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.13 -0.981 . . . . 1.78 108.901 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' H ' ' CG ' ' A' ' 9' ' ' ASN . . . -80.36 5.53 14.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.308 -0.87 . . . . 1.4299999999999999 108.979 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 1.084 ' HE3' ' HB3' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -53.04 -76.76 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.334 -0.854 . . . . 2.3399999999999999 109.641 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' ASP . 2.5 tt0 -67.08 -42.55 84.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 2.8799999999999999 109.731 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -43.97 -55.96 4.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 2.2599999999999998 109.722 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HD23 ' A' ' 18' ' ' LEU . . . -70.11 -59.13 3.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 1.1299999999999999 109.705 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.975 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 97.2 mt -48.48 -32.39 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 1.04 109.697 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.98 66.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 1.3300000000000001 109.105 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 11.2 tt0 -100.27 0.48 40.31 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.803 -0.814 . . . . 2.8199999999999998 108.803 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.063 HD12 ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -97.01 -54.91 3.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.513 -0.742 . . . . 2.3799999999999999 109.423 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -45.0 -34.91 2.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 3.1299999999999999 109.825 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.36 -29.93 33.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.184 -0.947 . . . . 3.4700000000000002 109.541 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.21 28.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 1.72 109.441 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.83 -21.71 29.32 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.491 -1.444 . . . . 1.6200000000000001 109.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD13 HG21 ' A' ' 48' ' ' ILE . 19.6 mt -77.11 126.09 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -1.093 . . . . 1.26 109.486 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.92 13.5 7.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 1.3799999999999999 109.447 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 149.05 45.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 1.3 109.336 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.868 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 1.3 m-20 -90.67 -14.2 32.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.5800000000000001 109.526 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.216 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -73.82 -5.51 41.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.305 -0.872 . . . . 1.6499999999999999 109.339 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 1.31 ' CD2' HG12 ' A' ' 48' ' ' ILE . 20.7 m-30 -112.03 -40.39 4.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.532 -0.914 . . . . 1.4199999999999999 108.532 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.975 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 2.7 m-30 -78.79 -40.59 32.67 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.264 -0.643 . . . . 1.55 109.264 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.868 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -68.72 -53.73 20.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.312 -0.868 . . . . 1.99 109.564 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.92 -3.92 2.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 1.03 109.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.964 HD11 ' CD ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -70.32 -51.87 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 1.5900000000000001 109.51 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 1.084 ' HB3' ' HE3' ' A' ' 11' ' ' LYS . 1.7 p-10 -71.72 -9.91 58.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 2.7999999999999998 109.496 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' O ' ' O ' ' A' ' 35' ' ' ALA . 4.4 mttt -85.63 -25.1 26.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.89 . . . . 3.0099999999999998 109.209 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB1' ' HB3' ' A' ' 40' ' ' GLU . . . -41.48 -179.01 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 1.6399999999999999 109.473 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' ' CH2' ' A' ' 5' ' ' TRP . 13.3 mttp -97.42 -64.9 1.0 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.198 -0.939 . . . . 3.2200000000000002 109.58 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.66 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.18 -170.22 1.93 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 2.3900000000000001 109.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.111 HG22 ' OD1' ' A' ' 9' ' ' ASN . 57.5 t -61.88 -37.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 1.8400000000000001 109.282 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 31.5 mt-10 -63.88 -28.02 69.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.339 -0.851 . . . . 3.1000000000000001 109.069 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.891 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 47.1 mm-40 -80.46 -34.08 36.23 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.293 -0.88 . . . . 2.5800000000000001 108.983 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.442 ' CG2' HD11 ' A' ' 7' ' ' LEU . 11.8 t -72.64 -57.09 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 1.24 109.126 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -61.8 -30.54 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.844 . . . . 1.5800000000000001 109.08 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -67.52 -41.38 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 1.29 109.132 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 35' ' ' ALA . 5.9 mt -58.84 -46.84 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.302 -0.874 . . . . 1.8600000000000001 109.499 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.063 ' NZ ' HD12 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -59.86 -32.27 70.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 2.52 109.703 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -77.31 -19.33 56.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.228 -0.92 . . . . 1.9399999999999999 109.623 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 51' ' ' ALA . 2.0 tt0 -81.1 -30.54 34.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.219 -0.926 . . . . 2.3199999999999998 109.354 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.31 HG12 ' CD2' ' A' ' 28' ' ' TYR . 3.1 mt -55.1 -36.21 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.165 -0.959 . . . . 1.25 109.362 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 49' ' ' LEU . 1.1 tp -58.91 -24.27 62.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.1299999999999999 109.676 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -122.88 -21.64 5.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.194 -0.941 . . . . 3.2000000000000002 109.605 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.747 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -91.36 21.05 4.71 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 1.5 109.605 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.064 ' HB3' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -175.4 -22.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.972 . . . . 1.8799999999999999 109.853 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.771 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.945 -1.026 . . . . 2.6099999999999999 109.528 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 1.254 ' O ' ' CG2' ' A' ' 2' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.475 0.655 . . . . 7.72 109.811 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.288 HD13 ' O ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER 79.81 -5.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 5.01 109.646 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -34.42 -36.52 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.194 -0.941 . . . . 6.02 108.935 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.606 ' O ' ' C ' ' A' ' 5' ' ' TRP . 11.1 mp0 -42.89 -18.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.037 -1.098 . . . . 6.25 108.037 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 1.309 ' O ' ' N ' ' A' ' 7' ' ' LEU . 4.2 t90 -26.27 -91.8 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.885 -0.509 . . . . 5.05 109.714 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.948 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 1.5 mt 36.65 -28.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 3.69 109.772 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.442 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.2 OUTLIER 83.56 4.81 0.82 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.871 . . . . 2.24 109.506 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -77.55 49.12 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.177 -0.952 . . . . 2.55 109.921 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 1.111 ' OD1' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -111.79 -61.2 1.74 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.13 -0.981 . . . . 1.78 108.901 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' H ' ' CG ' ' A' ' 9' ' ' ASN . . . -80.36 5.53 14.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.308 -0.87 . . . . 1.43 108.979 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 1.084 ' HE3' ' HB3' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -53.04 -76.76 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.334 -0.854 . . . . 2.34 109.641 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' ASP . 2.5 tt0 -67.08 -42.55 84.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 2.88 109.731 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -43.97 -55.96 4.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 2.26 109.722 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HD23 ' A' ' 18' ' ' LEU . . . -70.11 -59.13 3.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 1.13 109.705 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.975 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 97.2 mt -48.48 -32.39 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 1.04 109.697 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.98 66.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 1.33 109.105 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 11.2 tt0 -100.27 0.48 40.31 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.803 -0.814 . . . . 2.82 108.803 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.063 HD12 ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -97.01 -54.91 3.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.513 -0.742 . . . . 2.38 109.423 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -45.0 -34.91 2.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.323 -0.861 . . . . 3.13 109.825 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.36 -29.93 33.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.184 -0.947 . . . . 3.47 109.541 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.21 28.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 1.72 109.441 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.83 -21.71 29.32 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.491 -1.444 . . . . 1.62 109.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD13 HG21 ' A' ' 48' ' ' ILE . 19.6 mt -77.11 126.09 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -1.093 . . . . 1.26 109.486 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.92 13.5 7.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 1.38 109.447 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 149.05 45.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 1.3 109.336 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.868 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 1.3 m-20 -90.67 -14.2 32.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.58 109.526 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.216 ' CD1' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -73.82 -5.51 41.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.305 -0.872 . . . . 1.65 109.339 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 1.31 ' CD2' HG12 ' A' ' 48' ' ' ILE . 20.7 m-30 -112.03 -40.39 4.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.532 -0.914 . . . . 1.42 108.532 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.975 ' CZ ' HG23 ' A' ' 15' ' ' ILE . 2.7 m-30 -78.79 -40.59 32.67 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.264 -0.643 . . . . 1.55 109.264 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.868 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -68.72 -53.73 20.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.312 -0.868 . . . . 1.99 109.564 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.92 -3.92 2.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 1.03 109.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.964 HD11 ' CD ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -70.32 -51.87 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 1.59 109.51 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 1.084 ' HB3' ' HE3' ' A' ' 11' ' ' LYS . 1.7 p-10 -71.72 -9.91 58.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 2.8 109.496 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' O ' ' O ' ' A' ' 35' ' ' ALA . 4.4 mttt -85.63 -25.1 26.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.89 . . . . 3.01 109.209 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB1' ' HB3' ' A' ' 40' ' ' GLU . . . -41.48 -179.01 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 1.64 109.473 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.853 ' O ' ' CH2' ' A' ' 5' ' ' TRP . 13.3 mttp -97.42 -64.9 1.0 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.198 -0.939 . . . . 3.22 109.58 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.66 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.18 -170.22 1.93 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 2.39 109.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.111 HG22 ' OD1' ' A' ' 9' ' ' ASN . 57.5 t -61.88 -37.13 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 1.84 109.282 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 31.5 mt-10 -63.88 -28.02 69.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.339 -0.851 . . . . 3.1 109.069 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.891 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 47.1 mm-40 -80.46 -34.08 36.23 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.293 -0.88 . . . . 2.58 108.983 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.442 ' CG2' HD11 ' A' ' 7' ' ' LEU . 11.8 t -72.64 -57.09 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 1.24 109.126 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.558 HD22 HG12 ' A' ' 38' ' ' VAL . 72.9 m-20 -61.8 -30.54 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.844 . . . . 1.58 109.08 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -67.52 -41.38 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.348 -0.845 . . . . 1.29 109.132 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 35' ' ' ALA . 5.9 mt -58.84 -46.84 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.302 -0.874 . . . . 1.86 109.499 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.063 ' NZ ' HD12 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -59.86 -32.27 70.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 2.52 109.703 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -77.31 -19.33 56.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.228 -0.92 . . . . 1.94 109.623 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.663 ' O ' ' N ' ' A' ' 51' ' ' ALA . 2.0 tt0 -81.1 -30.54 34.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.219 -0.926 . . . . 2.32 109.354 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.31 HG12 ' CD2' ' A' ' 28' ' ' TYR . 3.1 mt -55.1 -36.21 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.165 -0.959 . . . . 1.25 109.362 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 49' ' ' LEU . 1.1 tp -58.91 -24.27 62.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.13 109.676 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -122.88 -21.64 5.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.194 -0.941 . . . . 3.2 109.605 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.747 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -91.36 21.05 4.71 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 1.5 109.605 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.064 ' HB3' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -175.4 -22.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.972 . . . . 1.88 109.853 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.69 ' N ' ' CD2' ' A' ' 52' ' ' HIS . . . . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.945 -1.026 . . . . 2.61 109.528 179.975 . . . . . . . . 1 1 . 1 stop_ save_