data_1op1_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 1op1 _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 ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.785 0 N-CA-C 119.402 2.521 . . . . 4.21 119.402 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' GLU . 15.7 mt-10 -83.38 127.19 33.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -1.115 . . . . 2.85 109.496 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 1.3 pm0 -38.37 -40.14 0.51 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 1.76 109.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 33.1 m-85 -133.21 -154.47 0.61 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 1.18 109.487 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -133.14 -2.44 3.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.286 -0.884 . . . . 4.04 109.274 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 74.7 mmm -100.77 145.1 28.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.312 -0.867 . . . . 2.12 109.284 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.45 -38.99 71.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 2.3 109.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 4.5 ptpt -58.98 -46.65 87.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.183 -0.948 . . . . 2.6 109.329 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -67.9 -52.19 39.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.39 -0.819 . . . . 1.26 109.424 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' MET . 0.9 OUTLIER -57.86 -30.65 65.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.38 109.617 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -72.74 -50.73 22.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 2.93 109.611 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.59 -42.12 99.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 1.75 108.738 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 34.0 t-105 -58.89 -61.23 2.78 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.863 -0.791 . . . . 1.1 108.863 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -49.63 -36.36 24.23 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.705 -0.85 . . . . 2.27 108.705 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.18 -54.9 41.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.37 -0.832 . . . . 2.36 109.163 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLN . . . -58.31 -57.6 12.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.121 -0.987 . . . . 1.58 108.487 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 23.4 mt-30 -44.97 -32.52 1.67 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.256 -1.016 . . . . 1.73 108.256 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.72 HH11 ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -70.67 -46.45 63.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.709 -0.849 . . . . 4.73 108.709 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 6.4 mp -68.77 -8.07 39.79 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.8 -1.185 . . . . 2.57 107.8 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 33' ' ' GLN . 5.2 m-70 50.41 83.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.738 -0.601 . . . . 1.95 109.976 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 3.0 mp -94.99 148.78 35.25 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.915 . . . . 1.63 108.653 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -52.24 159.64 4.06 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 120.981 1.121 . . . . 1.41 111.631 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 2.3 Cg_endo -59.01 -23.97 71.16 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 120.975 1.117 . . . . 1.18 111.935 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.636 ' CG1' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -82.22 -51.24 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 1.61 109.535 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.636 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 27.7 ttm180 -69.84 -31.86 69.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.518 -0.919 . . . . 3.76 108.518 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -79.43 -34.27 41.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.824 -0.806 . . . . 1.43 108.824 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 39' ' ' PRO . . . -69.79 -33.63 72.64 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.041 -1.096 . . . . 1.37 108.041 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -75.15 -39.93 60.02 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 88' ' ' TYR . 7.0 tp -69.92 -45.36 67.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.439 -0.788 . . . . 1.49 108.948 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.46 ' CD2' ' CH2' ' A' ' 29' ' ' TRP . 46.8 t-80 -63.53 -43.05 98.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 0.83 109.29 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -58.73 5.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 1.32 109.191 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' OD2' ' OH ' ' A' ' 88' ' ' TYR . 76.8 m-20 -54.35 -44.2 71.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.261 -0.899 . . . . 1.32 108.576 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.86 -33.76 73.56 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.58 -0.896 . . . . 1.41 108.58 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' GLU . 1.3 mmmt -63.32 -56.45 16.3 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.193 -1.039 . . . . 2.19 108.193 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.7 mp -47.53 -45.52 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.256 -1.387 . . . . 1.31 107.256 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 HE21 HD23 ' A' ' 77' ' ' LEU . 24.4 tp60 -62.42 -28.55 69.87 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.267 -1.012 . . . . 1.27 108.267 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 50' ' ' LYS . 1.1 tt0 -74.08 -38.76 63.81 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.439 -0.949 . . . . 1.4 108.439 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -60.8 -47.71 85.08 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.244 -1.021 . . . . 3.53 108.244 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.71 -47.41 63.26 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.36 109.261 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 59' ' ' TRP . 5.0 mm-40 -57.84 -61.92 2.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 1.77 109.11 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' GLU . 28.7 mt -47.43 -56.32 7.2 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.334 -1.358 . . . . 1.97 107.334 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -45.1 -33.54 2.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.084 -1.08 . . . . 1.38 108.084 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' ' 56' ' ' GLU . 91.9 t90 -71.03 -44.04 66.64 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.214 -0.995 . . . . 0.91 109.813 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -54.2 -34.39 60.49 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.45 -1.685 . . . . 2.5 106.45 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.1 mttt -70.68 -37.2 73.62 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.461 -0.94 . . . . 2.83 108.461 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.75 -60.07 4.09 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.833 . . . . 1.5 109.332 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG3' ' H ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -61.24 -41.96 97.8 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.593 -0.843 . . . . 2.49 109.156 -179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 13.1 mt -53.54 -47.5 69.94 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 2.0 109.239 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -79.18 -16.36 56.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.447 -0.783 . . . . 1.81 108.955 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.28 55.07 2.83 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.727 -1.349 . . . . 1.28 109.727 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mt -107.1 -38.91 5.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.157 -1.202 . . . . 2.3 109.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -101.02 103.74 14.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 1.45 109.112 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.9 -29.3 19.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.434 -0.791 . . . . 1.99 109.39 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.1 m-20 -97.74 19.7 13.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 1.74 109.378 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 44.05 10.36 0.01 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.602 -1.399 . . . . 1.05 109.602 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' N ' ' O ' ' A' ' 70' ' ' ASP . 5.1 tt0 -50.6 -49.5 56.36 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -1.203 . . . . 2.69 108.826 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -56.61 -45.08 81.66 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.338 -0.986 . . . . 2.7 108.338 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 59' ' ' TRP . 14.0 tt0 -60.64 -35.82 77.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.498 -0.751 . . . . 1.52 109.206 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.65 93.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.349 -0.845 . . . . 1.52 109.151 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.53 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 1.6 ttm180 -63.49 -45.67 89.68 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.075 -1.05 . . . . 4.08 108.547 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD23 HE21 ' A' ' 52' ' ' GLN . 10.1 mt -60.53 -47.82 84.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.243 -1.021 . . . . 1.68 108.243 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.413 HG22 ' ND2' ' A' ' 82' ' ' ASN . 4.6 mt -55.14 -59.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.327 -0.99 . . . . 1.54 108.327 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -48.99 -34.08 12.33 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.842 -0.799 . . . . 4.11 108.842 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' ' O ' ' A' ' 76' ' ' ARG . 24.8 m120 -68.34 -57.84 5.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 2.25 108.854 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD1' ' OE2' ' A' ' 56' ' ' GLU . 20.0 mt -49.85 -37.09 29.3 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.269 -1.382 . . . . 2.03 107.269 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 78' ' ' ILE . 12.2 m-80 -65.38 -45.33 84.48 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.078 -0.712 . . . . 2.26 109.078 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.87 -51.79 65.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 108.417 -0.957 . . . . 1.8 108.417 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.8 mt -48.73 -46.2 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.397 -0.815 . . . . 1.39 109.039 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.1 mm? -65.7 -48.57 71.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.095 -1.003 . . . . 1.75 108.873 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.24 -17.4 18.93 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.298 -0.877 . . . . 1.96 108.754 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -85.55 -49.53 7.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.407 -0.808 . . . . 2.84 109.696 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 45' ' ' LEU . 89.6 m-85 -83.41 -0.17 48.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.295 -0.878 . . . . 1.45 109.029 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.56 8.99 15.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.123 -1.591 . . . . 1.69 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -80.54 8.08 8.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.351 -1.088 . . . . 2.46 109.54 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -44.95 -9.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.205 -0.935 . . . . 2.21 109.38 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.666 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 105.87 -144.76 15.85 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.525 -1.43 . . . . 2.88 109.525 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.791 ' HZ2' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -140.94 -87.52 0.17 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.287 -1.125 . . . . 7.76 109.18 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.718 ' N ' ' NZ ' ' A' ' 93' ' ' LYS . 1.4 mmpt? -87.25 -91.89 0.1 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.204 -0.935 . . . . 8.07 109.291 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.93 -43.35 0.2 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.249 -0.907 . . . . 6.76 109.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -109.21 -6.09 15.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.314 -0.866 . . . . 7.85 109.435 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.646 ' HE ' ' C ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 62.47 135.36 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.196 -0.94 . . . . 11.38 109.523 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.6 HE21 ' NZ ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.973 -1.013 . . . . 11.75 109.443 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.785 0 N-CA-C 119.402 2.521 . . . . 3.8599999999999999 119.402 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' GLU . 15.7 mt-10 -83.38 127.19 33.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -1.115 . . . . 2.8500000000000001 109.496 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.711 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 pm0 -38.37 -40.14 0.51 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 1.76 109.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 33.1 m-85 -133.21 -154.47 0.61 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 1.1799999999999999 109.487 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -133.14 -2.44 3.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.286 -0.884 . . . . 3.4300000000000002 109.274 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 25' ' ' LEU . 74.7 mmm -100.77 145.1 28.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.312 -0.867 . . . . 1.54 109.284 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.45 -38.99 71.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 2.2999999999999998 109.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 4.5 ptpt -58.98 -46.65 87.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.183 -0.948 . . . . 2.0800000000000001 109.329 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -67.9 -52.19 39.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.39 -0.819 . . . . 0.91000000000000003 109.424 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' MET . 0.9 OUTLIER -57.86 -30.65 65.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.28 109.617 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -72.74 -50.73 22.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 2.4199999999999999 109.611 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.59 -42.12 99.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 1.26 108.738 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 34.0 t-105 -58.89 -61.23 2.78 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.863 -0.791 . . . . 1.1000000000000001 108.863 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -49.63 -36.36 24.23 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.705 -0.85 . . . . 2.27 108.705 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.18 -54.9 41.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.37 -0.832 . . . . 1.9299999999999999 109.163 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLN . . . -58.31 -57.6 12.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.121 -0.987 . . . . 1.3100000000000001 108.487 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' ALA . 23.4 mt-30 -44.97 -32.52 1.67 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.256 -1.016 . . . . 1.53 108.256 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.735 HH11 ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -70.67 -46.45 63.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.709 -0.849 . . . . 4.0499999999999998 108.709 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 31' ' ' LYS . 6.4 mp -68.77 -8.07 39.79 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.8 -1.185 . . . . 2.0800000000000001 107.8 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.8 m80 50.41 83.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.738 -0.601 . . . . 1.8500000000000001 109.976 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.867 ' N ' HD12 ' A' ' 37' ' ' LEU . 3.0 mp -94.99 148.78 35.25 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.915 . . . . 1.23 108.653 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -52.24 159.64 4.06 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 120.981 1.121 . . . . 1.3 111.631 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.565 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 2.3 Cg_endo -59.01 -23.97 71.16 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 120.975 1.117 . . . . 1.1299999999999999 111.935 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.636 ' CG1' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -82.22 -51.24 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 1.05 109.535 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.636 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 27.7 ttm180 -69.84 -31.86 69.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.518 -0.919 . . . . 3.0600000000000001 108.518 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -79.43 -34.27 41.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.824 -0.806 . . . . 0.93999999999999995 108.824 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 39' ' ' PRO . . . -69.79 -33.63 72.64 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.041 -1.096 . . . . 0.79000000000000004 108.041 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -75.15 -39.93 60.02 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.559 -0.904 . . . . 2.0299999999999998 108.559 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 88' ' ' TYR . 7.0 tp -69.92 -45.36 67.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.439 -0.788 . . . . 0.96999999999999997 108.948 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 69.6 t60 -63.53 -43.05 98.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 0.76000000000000001 109.29 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -58.73 5.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.67000000000000004 109.191 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' OD2' ' OH ' ' A' ' 88' ' ' TYR . 76.8 m-20 -54.35 -44.2 71.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.261 -0.899 . . . . 1.3200000000000001 108.576 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 49' ' ' LEU . 16.1 mt -60.86 -33.76 73.56 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.58 -0.896 . . . . 0.75 108.58 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' GLU . 1.3 mmmt -63.32 -56.45 16.3 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.193 -1.039 . . . . 1.6100000000000001 108.193 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.7 mp -47.53 -45.52 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.256 -1.387 . . . . 0.73999999999999999 107.256 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' NE2' HD23 ' A' ' 77' ' ' LEU . 24.4 tp60 -62.42 -28.55 69.87 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.267 -1.012 . . . . 1.27 108.267 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 50' ' ' LYS . 1.1 tt0 -74.08 -38.76 63.81 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.439 -0.949 . . . . 1.3999999999999999 108.439 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -60.8 -47.71 85.08 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.244 -1.021 . . . . 2.9700000000000002 108.244 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.681 ' CB ' HD21 ' A' ' 77' ' ' LEU . 65.9 m-20 -69.71 -47.41 63.26 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.3600000000000001 109.261 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.724 ' HG2' HD22 ' A' ' 77' ' ' LEU . 5.0 mm-40 -57.84 -61.92 2.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 1.77 109.11 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.492 HD12 ' CD ' ' A' ' 53' ' ' GLU . 28.7 mt -47.43 -56.32 7.2 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.334 -1.358 . . . . 1.3600000000000001 107.334 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -45.1 -33.54 2.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.084 -1.08 . . . . 0.89000000000000001 108.084 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' HA ' HD12 ' A' ' 62' ' ' LEU . 91.9 t90 -71.03 -44.04 66.64 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.214 -0.995 . . . . 0.83999999999999997 109.813 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -54.2 -34.39 60.49 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.45 -1.685 . . . . 2.0299999999999998 106.45 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.1 mttt -70.68 -37.2 73.62 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.461 -0.94 . . . . 2.2999999999999998 108.461 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 59' ' ' TRP . 6.3 mt -56.75 -60.07 4.09 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.833 . . . . 1.05 109.332 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -61.24 -41.96 97.8 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.593 -0.843 . . . . 1.99 109.156 -179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 13.1 mt -53.54 -47.5 69.94 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 1.5 109.239 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -79.18 -16.36 56.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.447 -0.783 . . . . 1.8100000000000001 108.955 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.28 55.07 2.83 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.727 -1.349 . . . . 1.27 109.727 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.567 ' HB2' HD23 ' A' ' 62' ' ' LEU . 6.5 mt -107.1 -38.91 5.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.157 -1.202 . . . . 1.8200000000000001 109.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -101.02 103.74 14.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 1.45 109.112 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.9 -29.3 19.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.434 -0.791 . . . . 1.99 109.39 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.1 m-20 -97.74 19.7 13.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 1.74 109.378 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 44.05 10.36 0.01 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.602 -1.399 . . . . 1.05 109.602 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' N ' ' O ' ' A' ' 70' ' ' ASP . 5.1 tt0 -50.6 -49.5 56.36 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -1.203 . . . . 2.6899999999999999 108.826 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -56.61 -45.08 81.66 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 59' ' ' TRP . 14.0 tt0 -60.64 -35.82 77.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.498 -0.751 . . . . 1.52 109.206 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.65 93.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.349 -0.845 . . . . 1.0800000000000001 109.151 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.53 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 1.6 ttm180 -63.49 -45.67 89.68 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.075 -1.05 . . . . 3.5499999999999998 108.547 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 56' ' ' GLU . 10.1 mt -60.53 -47.82 84.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.243 -1.021 . . . . 1.0900000000000001 108.243 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mt -55.14 -59.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.327 -0.99 . . . . 1.1000000000000001 108.327 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.706 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.9 ttm180 -48.99 -34.08 12.33 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.842 -0.799 . . . . 3.52 108.842 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' ' O ' ' A' ' 76' ' ' ARG . 24.8 m120 -68.34 -57.84 5.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 1.5600000000000001 108.854 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD11 ' OE2' ' A' ' 56' ' ' GLU . 20.0 mt -49.85 -37.09 29.3 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.269 -1.382 . . . . 1.3799999999999999 107.269 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.38 -45.33 84.48 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.078 -0.712 . . . . 1.71 109.078 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 79' ' ' ARG . 99.3 t -63.87 -51.79 65.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 108.417 -0.957 . . . . 1.28 108.417 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.8 mt -48.73 -46.2 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.397 -0.815 . . . . 1.0700000000000001 109.039 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 81' ' ' LEU . 4.1 mm? -65.7 -48.57 71.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.095 -1.003 . . . . 1.3600000000000001 108.873 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.24 -17.4 18.93 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.298 -0.877 . . . . 1.5800000000000001 108.754 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -85.55 -49.53 7.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.407 -0.808 . . . . 2.4100000000000001 109.696 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 45' ' ' LEU . 89.6 m-85 -83.41 -0.17 48.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.295 -0.878 . . . . 1.45 109.029 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.56 8.99 15.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.123 -1.591 . . . . 1.6899999999999999 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -80.54 8.08 8.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.351 -1.088 . . . . 2.0 109.54 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -44.95 -9.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.205 -0.935 . . . . 2.21 109.38 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.666 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 105.87 -144.76 15.85 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.525 -1.43 . . . . 2.8199999999999998 109.525 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.871 ' HZ1' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -140.94 -87.52 0.17 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.287 -1.125 . . . . 7.4199999999999999 109.18 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.839 ' N ' ' HZ2' ' A' ' 93' ' ' LYS . 1.4 mmpt? -87.25 -91.89 0.1 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.204 -0.935 . . . . 7.79 109.291 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.93 -43.35 0.2 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.249 -0.907 . . . . 6.7599999999999998 109.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -109.21 -6.09 15.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.314 -0.866 . . . . 7.8499999999999996 109.435 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.675 ' C ' ' HE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 62.47 135.36 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.196 -0.94 . . . . 10.890000000000001 109.523 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.629 ' NE2' ' O ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.973 -1.013 . . . . 11.44 109.443 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.785 0 N-CA-C 119.402 2.521 . . . . 3.86 119.402 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' GLU . 15.7 mt-10 -83.38 127.19 33.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -1.115 . . . . 2.85 109.496 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.711 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 1.3 pm0 -38.37 -40.14 0.51 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 1.76 109.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 33.1 m-85 -133.21 -154.47 0.61 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 1.18 109.487 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -133.14 -2.44 3.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.286 -0.884 . . . . 3.43 109.274 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 25' ' ' LEU . 74.7 mmm -100.77 145.1 28.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.312 -0.867 . . . . 1.54 109.284 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.45 -38.99 71.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 2.3 109.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.594 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 4.5 ptpt -58.98 -46.65 87.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.183 -0.948 . . . . 2.08 109.329 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -67.9 -52.19 39.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.39 -0.819 . . . . 0.91 109.424 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' MET . 0.9 OUTLIER -57.86 -30.65 65.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.28 109.617 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -72.74 -50.73 22.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 2.42 109.611 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.59 -42.12 99.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.206 -0.934 . . . . 1.26 108.738 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 34.0 t-105 -58.89 -61.23 2.78 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.863 -0.791 . . . . 1.1 108.863 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -49.63 -36.36 24.23 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.705 -0.85 . . . . 2.27 108.705 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.18 -54.9 41.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.37 -0.832 . . . . 1.93 109.163 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLN . . . -58.31 -57.6 12.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.121 -0.987 . . . . 1.31 108.487 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 23.4 mt-30 -44.97 -32.52 1.67 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.256 -1.016 . . . . 1.53 108.256 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.735 HH11 ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -70.67 -46.45 63.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.709 -0.849 . . . . 4.05 108.709 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 31' ' ' LYS . 6.4 mp -68.77 -8.07 39.79 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.8 -1.185 . . . . 2.08 107.8 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 33' ' ' GLN . 5.2 m-70 50.41 83.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.738 -0.601 . . . . 1.85 109.976 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 37' ' ' LEU . 3.0 mp -94.99 148.78 35.25 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.915 . . . . 1.23 108.653 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -52.24 159.64 4.06 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 120.981 1.121 . . . . 1.3 111.631 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.565 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 2.3 Cg_endo -59.01 -23.97 71.16 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 120.975 1.117 . . . . 1.13 111.935 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.636 ' CG1' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -82.22 -51.24 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 1.05 109.535 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.636 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 27.7 ttm180 -69.84 -31.86 69.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.518 -0.919 . . . . 3.06 108.518 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -79.43 -34.27 41.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.824 -0.806 . . . . 0.94 108.824 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 39' ' ' PRO . . . -69.79 -33.63 72.64 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.041 -1.096 . . . . 0.79 108.041 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -75.15 -39.93 60.02 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 88' ' ' TYR . 7.0 tp -69.92 -45.36 67.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.439 -0.788 . . . . 0.97 108.948 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.46 ' CD2' ' CH2' ' A' ' 29' ' ' TRP . 46.8 t-80 -63.53 -43.05 98.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 0.76 109.29 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -58.73 5.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.67 109.191 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' OD2' ' OH ' ' A' ' 88' ' ' TYR . 76.8 m-20 -54.35 -44.2 71.95 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.261 -0.899 . . . . 1.32 108.576 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.1 mt -60.86 -33.76 73.56 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.58 -0.896 . . . . 0.75 108.58 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' GLU . 1.3 mmmt -63.32 -56.45 16.3 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.193 -1.039 . . . . 1.61 108.193 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.7 mp -47.53 -45.52 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.256 -1.387 . . . . 0.74 107.256 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' NE2' HD23 ' A' ' 77' ' ' LEU . 24.4 tp60 -62.42 -28.55 69.87 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.267 -1.012 . . . . 1.27 108.267 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 50' ' ' LYS . 1.1 tt0 -74.08 -38.76 63.81 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.439 -0.949 . . . . 1.4 108.439 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -60.8 -47.71 85.08 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.244 -1.021 . . . . 2.97 108.244 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.681 ' CB ' HD21 ' A' ' 77' ' ' LEU . 65.9 m-20 -69.71 -47.41 63.26 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.36 109.261 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.724 ' HG2' HD22 ' A' ' 77' ' ' LEU . 5.0 mm-40 -57.84 -61.92 2.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 1.77 109.11 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.492 HD12 ' CD ' ' A' ' 53' ' ' GLU . 28.7 mt -47.43 -56.32 7.2 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.334 -1.358 . . . . 1.36 107.334 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -45.1 -33.54 2.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.084 -1.08 . . . . 0.89 108.084 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' HA ' HD12 ' A' ' 62' ' ' LEU . 91.9 t90 -71.03 -44.04 66.64 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 119.214 -0.995 . . . . 0.84 109.813 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -54.2 -34.39 60.49 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.45 -1.685 . . . . 2.03 106.45 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.1 mttt -70.68 -37.2 73.62 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.461 -0.94 . . . . 2.3 108.461 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 59' ' ' TRP . 6.3 mt -56.75 -60.07 4.09 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.833 . . . . 1.05 109.332 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -61.24 -41.96 97.8 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.593 -0.843 . . . . 1.99 109.156 -179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 13.1 mt -53.54 -47.5 69.94 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.281 -0.887 . . . . 1.5 109.239 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -79.18 -16.36 56.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.447 -0.783 . . . . 1.81 108.955 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.28 55.07 2.83 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.727 -1.349 . . . . 1.27 109.727 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.567 ' HB2' HD23 ' A' ' 62' ' ' LEU . 6.5 mt -107.1 -38.91 5.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.157 -1.202 . . . . 1.82 109.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -101.02 103.74 14.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 1.45 109.112 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.9 -29.3 19.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.434 -0.791 . . . . 1.99 109.39 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.1 m-20 -97.74 19.7 13.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 1.74 109.378 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 44.05 10.36 0.01 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.602 -1.399 . . . . 1.05 109.602 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.666 ' N ' ' O ' ' A' ' 70' ' ' ASP . 5.1 tt0 -50.6 -49.5 56.36 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -1.203 . . . . 2.69 108.826 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -56.61 -45.08 81.66 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.338 -0.986 . . . . 2.17 108.338 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 59' ' ' TRP . 14.0 tt0 -60.64 -35.82 77.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.498 -0.751 . . . . 1.52 109.206 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.52 -43.65 93.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.349 -0.845 . . . . 1.08 109.151 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.53 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 1.6 ttm180 -63.49 -45.67 89.68 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.075 -1.05 . . . . 3.55 108.547 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 56' ' ' GLU . 10.1 mt -60.53 -47.82 84.5 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.243 -1.021 . . . . 1.09 108.243 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.6 mt -55.14 -59.27 2.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 108.327 -0.99 . . . . 1.1 108.327 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.706 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.9 ttm180 -48.99 -34.08 12.33 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.842 -0.799 . . . . 3.52 108.842 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' ' O ' ' A' ' 76' ' ' ARG . 24.8 m120 -68.34 -57.84 5.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 1.56 108.854 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD11 ' OE2' ' A' ' 56' ' ' GLU . 20.0 mt -49.85 -37.09 29.3 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.269 -1.382 . . . . 1.38 107.269 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.38 -45.33 84.48 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.078 -0.712 . . . . 1.71 109.078 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 79' ' ' ARG . 99.3 t -63.87 -51.79 65.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 108.417 -0.957 . . . . 1.28 108.417 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.8 mt -48.73 -46.2 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.397 -0.815 . . . . 1.07 109.039 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 81' ' ' LEU . 4.1 mm? -65.7 -48.57 71.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.095 -1.003 . . . . 1.36 108.873 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.24 -17.4 18.93 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.298 -0.877 . . . . 1.58 108.754 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -85.55 -49.53 7.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.407 -0.808 . . . . 2.41 109.696 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 45' ' ' LEU . 89.6 m-85 -83.41 -0.17 48.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.295 -0.878 . . . . 1.45 109.029 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.56 8.99 15.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.123 -1.591 . . . . 1.69 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -80.54 8.08 8.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.351 -1.088 . . . . 2.0 109.54 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -44.95 -9.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.205 -0.935 . . . . 2.21 109.38 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.666 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . 105.87 -144.76 15.85 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.525 -1.43 . . . . 2.82 109.525 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.871 ' H ' ' HZ1' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -140.94 -87.52 0.17 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.287 -1.125 . . . . 7.42 109.18 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.839 ' N ' ' HZ2' ' A' ' 93' ' ' LYS . 1.4 mmpt? -87.25 -91.89 0.1 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.204 -0.935 . . . . 7.79 109.291 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.93 -43.35 0.2 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.249 -0.907 . . . . 6.76 109.399 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -109.21 -6.09 15.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.314 -0.866 . . . . 7.85 109.435 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.675 ' HE ' ' C ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 62.47 135.36 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.196 -0.94 . . . . 10.89 109.523 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.636 HE21 ' NZ ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.973 -1.013 . . . . 11.44 109.443 179.967 . . . . . . . . 2 2 . 1 stop_ save_