data_1ow5_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 1ow5 _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 ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo . . . . . 0 N--CA 1.499 1.823 0 CA-C-O 121.342 0.476 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -55.48 -36.84 67.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.8 t -53.27 -46.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 109.634 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -73.04 -40.15 65.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.901 -1.125 . . . . 0.0 110.721 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.8 -46.27 79.29 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.275 -0.891 . . . . 0.0 112.424 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CG ' ' N ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.32 -40.96 77.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.641 -1.287 . . . . 0.0 109.498 -178.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 28' ' ' PHE . 9.9 tt -59.85 -35.98 75.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.272 -0.892 . . . . 0.0 109.415 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.73 -29.73 60.01 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.356 -0.84 . . . . 0.0 109.697 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.27 -31.36 65.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 109.779 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.39 -30.07 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.128 -0.982 . . . . 0.0 108.838 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.94 -7.14 57.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 t -128.21 112.18 14.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -1.121 . . . . 0.0 109.463 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 66.9 p -73.42 -15.42 61.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.193 -0.942 . . . . 0.0 109.729 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -50.47 -39.32 47.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.944 -1.098 . . . . 0.0 108.973 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' OD2' ' A' ' 70' ' ' ASP . 60.7 m-85 -63.85 -30.55 71.63 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' THR . 8.5 tt -55.48 -41.06 72.46 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 13.3 m -57.81 -40.12 79.19 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.523 -0.735 . . . . 0.0 109.295 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CE1' ' CD2' ' A' ' 63' ' ' LEU . 20.4 m-85 -65.31 -39.73 92.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.164 -0.96 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 42' ' ' ILE . 25.8 mm -60.62 -35.4 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.247 -0.908 . . . . 0.0 108.872 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -56.86 -39.54 74.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 109.383 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.17 -9.31 48.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 0.0 109.262 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 58.96 47.93 11.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.493 -0.754 . . . . 0.0 109.428 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.38 124.46 39.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 108.851 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -11.21 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.42 -0.8 . . . . 0.0 110.257 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.0 m -80.28 130.37 35.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.034 -1.042 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 81' ' ' PHE . 97.9 mt-10 -68.02 -38.09 82.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.455 -0.778 . . . . 0.0 110.141 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.26 -36.96 85.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.262 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.93 -29.94 69.92 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.287 -0.883 . . . . 0.0 110.147 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.03 -46.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 120.735 -1.228 . . . . 0.0 108.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -64.03 -34.21 77.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.227 -0.921 . . . . 0.0 108.667 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -64.62 -16.05 62.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.769 -0.582 . . . . 0.0 110.298 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.52 129.01 37.69 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.925 -1.109 . . . . 0.0 109.809 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' H ' HD13 ' A' ' 59' ' ' ILE . 87.2 m-20 -98.47 161.52 13.64 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HZ2' ' CD1' ' A' ' 75' ' ' LEU . 28.8 mttm -54.08 -40.78 67.51 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.805 -1.184 . . . . 0.0 109.006 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.86 -43.32 96.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 56' ' ' ASP . 81.5 mt -62.23 -38.06 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.155 -0.966 . . . . 0.0 109.606 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.68 -36.41 74.16 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.0 108.736 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.8 -46.49 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.67 71.86 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.414 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 21.9 tp -59.13 -34.92 72.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.633 -0.667 . . . . 0.0 109.374 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.438 ' O ' ' OG ' ' A' ' 40' ' ' SER . . . 116.47 47.13 0.51 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.9 t -110.68 130.51 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.358 -1.083 . . . . 0.0 108.416 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -100.74 -2.3 32.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.043 -1.035 . . . . 0.0 111.45 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -119.89 123.14 42.87 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.983 -1.073 . . . . 0.0 109.846 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.6 tt -68.37 -33.8 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.195 -0.941 . . . . 0.0 109.829 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.8 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.49 ' OD2' ' OH ' ' A' ' 37' ' ' TYR . 87.2 m-20 -60.92 -35.4 76.59 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.29 -1.124 . . . . 0.0 109.452 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -55.49 -41.4 72.96 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.258 -0.902 . . . . 0.0 108.943 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD21 ' HZ3' ' A' ' 57' ' ' LYS . 63.9 mt -64.65 -38.74 92.03 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HG2' HH21 ' A' ' 76' ' ' ARG . 70.8 mttt -61.92 -42.77 99.48 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.474 -0.766 . . . . 0.0 110.209 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.495 ' O ' ' OG ' ' A' ' 78' ' ' SER . 71.5 mt -60.76 -45.77 97.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 120.799 -1.188 . . . . 0.0 110.018 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' CD1' ' HZ2' ' A' ' 57' ' ' LYS . 82.1 mt -65.53 -44.4 87.02 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.109 -0.994 . . . . 0.0 110.47 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.415 HH21 ' HG2' ' A' ' 73' ' ' LYS . 80.6 mtm180 -67.05 -46.85 73.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.976 -1.077 . . . . 0.0 110.561 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -62.79 -37.37 86.43 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.199 -0.938 . . . . 0.0 109.807 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' A' ' 74' ' ' ILE . 15.5 m -59.04 -39.07 80.87 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.0 -1.063 . . . . 0.0 108.718 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -60.28 -33.71 72.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.287 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -58.68 -24.66 61.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 109.232 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 62.3 t80 -54.3 -39.56 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.437 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.461 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo . . . . . 0 N--CA 1.499 1.823 0 CA-C-O 121.342 0.476 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 28' ' ' PHE . 88.5 t80 -55.48 -36.84 67.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG22 HD11 ' A' ' 52' ' ' ILE . 50.8 t -53.27 -46.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 109.634 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.439 ' CG ' HD11 ' A' ' 38' ' ' LEU . 93.7 mt-30 -73.04 -40.15 65.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.901 -1.125 . . . . 0.0 110.721 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.8 -46.27 79.29 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.275 -0.891 . . . . 0.0 112.424 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CG ' ' N ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.32 -40.96 77.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.641 -1.287 . . . . 0.0 109.498 -178.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 37' ' ' TYR . 9.9 tt -59.85 -35.98 75.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.272 -0.892 . . . . 0.0 109.415 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.73 -29.73 60.01 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.356 -0.84 . . . . 0.0 109.697 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.27 -31.36 65.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 109.779 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD12 ' HG ' ' A' ' 29' ' ' LEU . 90.7 mt -57.39 -30.07 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.128 -0.982 . . . . 0.0 108.838 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.94 -7.14 57.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 t -128.21 112.18 14.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -1.121 . . . . 0.0 109.463 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' LEU . 66.9 p -73.42 -15.42 61.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.193 -0.942 . . . . 0.0 109.729 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -50.47 -39.32 47.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.944 -1.098 . . . . 0.0 108.973 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.718 ' CE1' HG13 ' A' ' 65' ' ' VAL . 60.7 m-85 -63.85 -30.55 71.63 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 26' ' ' GLN . 8.5 tt -55.48 -41.06 72.46 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -57.81 -40.12 79.19 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.523 -0.735 . . . . 0.0 109.295 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.747 ' CD1' HD21 ' A' ' 63' ' ' LEU . 20.4 m-85 -65.31 -39.73 92.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.164 -0.96 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.8 mm -60.62 -35.4 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.247 -0.908 . . . . 0.0 108.872 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -56.86 -39.54 74.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 109.383 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.771 ' SG ' HD12 ' A' ' 63' ' ' LEU . 96.7 m -90.17 -9.31 48.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 0.0 109.262 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 58.96 47.93 11.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.493 -0.754 . . . . 0.0 109.428 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 51' ' ' GLU . 12.0 tp -95.38 124.46 39.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 108.851 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -11.21 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.42 -0.8 . . . . 0.0 110.257 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.0 m -80.28 130.37 35.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.034 -1.042 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 81' ' ' PHE . 97.9 mt-10 -68.02 -38.09 82.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.455 -0.778 . . . . 0.0 110.141 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.26 -36.96 85.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.262 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' CB ' HD11 ' A' ' 46' ' ' LEU . 74.4 mm-40 -60.93 -29.94 69.92 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.287 -0.883 . . . . 0.0 110.147 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.695 HD11 HG22 ' A' ' 25' ' ' VAL . 78.6 mt -52.03 -46.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 120.735 -1.228 . . . . 0.0 108.076 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -64.03 -34.21 77.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.227 -0.921 . . . . 0.0 108.667 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -64.62 -16.05 62.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.769 -0.582 . . . . 0.0 110.298 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.52 129.01 37.69 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.925 -1.109 . . . . 0.0 109.809 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' H ' HD12 ' A' ' 59' ' ' ILE . 87.2 m-20 -98.47 161.52 13.64 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.524 ' NZ ' HD12 ' A' ' 75' ' ' LEU . 28.8 mttm -54.08 -40.78 67.51 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.805 -1.184 . . . . 0.0 109.006 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.86 -43.32 96.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.487 HD12 ' H ' ' A' ' 56' ' ' ASP . 81.5 mt -62.23 -38.06 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.155 -0.966 . . . . 0.0 109.606 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.68 -36.41 74.16 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.0 108.736 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.8 -46.49 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.67 71.86 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.771 HD12 ' SG ' ' A' ' 44' ' ' CYS . 21.9 tp -59.13 -34.92 72.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.633 -0.667 . . . . 0.0 109.374 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.47 47.13 0.51 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.718 HG13 ' CE1' ' A' ' 37' ' ' TYR . 49.9 t -110.68 130.51 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.358 -1.083 . . . . 0.0 108.416 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -100.74 -2.3 32.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.043 -1.035 . . . . 0.0 111.45 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -119.89 123.14 42.87 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.983 -1.073 . . . . 0.0 109.846 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.6 tt -68.37 -33.8 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.195 -0.941 . . . . 0.0 109.829 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.8 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD2' ' CE2' ' A' ' 37' ' ' TYR . 87.2 m-20 -60.92 -35.4 76.59 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.29 -1.124 . . . . 0.0 109.452 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -55.49 -41.4 72.96 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.258 -0.902 . . . . 0.0 108.943 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.65 -38.74 92.03 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' HH21 ' A' ' 76' ' ' ARG . 70.8 mttt -61.92 -42.77 99.48 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.474 -0.766 . . . . 0.0 110.209 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 32' ' ' ILE . 71.5 mt -60.76 -45.77 97.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 120.799 -1.188 . . . . 0.0 110.018 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD12 ' NZ ' ' A' ' 57' ' ' LYS . 82.1 mt -65.53 -44.4 87.02 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.109 -0.994 . . . . 0.0 110.47 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.45 HH21 ' HG2' ' A' ' 73' ' ' LYS . 80.6 mtm180 -67.05 -46.85 73.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.976 -1.077 . . . . 0.0 110.561 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -62.79 -37.37 86.43 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.199 -0.938 . . . . 0.0 109.807 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' HG22 ' A' ' 52' ' ' ILE . 15.5 m -59.04 -39.07 80.87 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.0 -1.063 . . . . 0.0 108.718 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -60.28 -33.71 72.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.287 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -58.68 -24.66 61.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 109.232 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 62.3 t80 -54.3 -39.56 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.437 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.461 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo . . . . . 0 N--CA 1.499 1.823 0 CA-C-O 121.342 0.476 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 28' ' ' PHE . 88.5 t80 -55.48 -36.84 67.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG22 HD11 ' A' ' 52' ' ' ILE . 50.8 t -53.27 -46.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 109.634 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.439 ' CG ' HD11 ' A' ' 38' ' ' LEU . 93.7 mt-30 -73.04 -40.15 65.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.901 -1.125 . . . . 0.0 110.721 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.8 -46.27 79.29 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.275 -0.891 . . . . 0.0 112.424 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' CG ' ' N ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.32 -40.96 77.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.641 -1.287 . . . . 0.0 109.498 -178.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 37' ' ' TYR . 9.9 tt -59.85 -35.98 75.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.272 -0.892 . . . . 0.0 109.415 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -55.73 -29.73 60.01 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.356 -0.84 . . . . 0.0 109.697 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.27 -31.36 65.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 109.779 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD12 ' HG ' ' A' ' 29' ' ' LEU . 90.7 mt -57.39 -30.07 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.128 -0.982 . . . . 0.0 108.838 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.94 -7.14 57.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 t -128.21 112.18 14.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -1.121 . . . . 0.0 109.463 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' LEU . 66.9 p -73.42 -15.42 61.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.193 -0.942 . . . . 0.0 109.729 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -50.47 -39.32 47.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.944 -1.098 . . . . 0.0 108.973 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.718 ' CE1' HG13 ' A' ' 65' ' ' VAL . 60.7 m-85 -63.85 -30.55 71.63 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 26' ' ' GLN . 8.5 tt -55.48 -41.06 72.46 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.36 -37.39 85.51 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 m -57.81 -40.12 79.19 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.523 -0.735 . . . . 0.0 109.295 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.747 ' CD1' HD21 ' A' ' 63' ' ' LEU . 20.4 m-85 -65.31 -39.73 92.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.164 -0.96 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.8 mm -60.62 -35.4 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.247 -0.908 . . . . 0.0 108.872 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -56.86 -39.54 74.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 109.383 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.771 ' SG ' HD12 ' A' ' 63' ' ' LEU . 96.7 m -90.17 -9.31 48.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 0.0 109.262 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 58.96 47.93 11.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.493 -0.754 . . . . 0.0 109.428 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.652 HD11 ' CB ' ' A' ' 51' ' ' GLU . 12.0 tp -95.38 124.46 39.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.225 -0.922 . . . . 0.0 108.851 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -11.21 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.42 -0.8 . . . . 0.0 110.257 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.0 m -80.28 130.37 35.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.034 -1.042 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 81' ' ' PHE . 97.9 mt-10 -68.02 -38.09 82.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.455 -0.778 . . . . 0.0 110.141 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.26 -36.96 85.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.262 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' CB ' HD11 ' A' ' 46' ' ' LEU . 74.4 mm-40 -60.93 -29.94 69.92 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.287 -0.883 . . . . 0.0 110.147 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.695 HD11 HG22 ' A' ' 25' ' ' VAL . 78.6 mt -52.03 -46.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 120.735 -1.228 . . . . 0.0 108.076 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -64.03 -34.21 77.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.227 -0.921 . . . . 0.0 108.667 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -64.62 -16.05 62.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.769 -0.582 . . . . 0.0 110.298 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.52 129.01 37.69 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.925 -1.109 . . . . 0.0 109.809 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' H ' HD12 ' A' ' 59' ' ' ILE . 87.2 m-20 -98.47 161.52 13.64 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.524 ' NZ ' HD12 ' A' ' 75' ' ' LEU . 28.8 mttm -54.08 -40.78 67.51 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.805 -1.184 . . . . 0.0 109.006 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.86 -43.32 96.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.784 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.487 HD12 ' H ' ' A' ' 56' ' ' ASP . 81.5 mt -62.23 -38.06 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.155 -0.966 . . . . 0.0 109.606 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.68 -36.41 74.16 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.0 108.736 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.8 -46.49 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.67 71.86 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.771 HD12 ' SG ' ' A' ' 44' ' ' CYS . 21.9 tp -59.13 -34.92 72.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.633 -0.667 . . . . 0.0 109.374 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.47 47.13 0.51 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.718 HG13 ' CE1' ' A' ' 37' ' ' TYR . 49.9 t -110.68 130.51 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.358 -1.083 . . . . 0.0 108.416 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -100.74 -2.3 32.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.043 -1.035 . . . . 0.0 111.45 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -119.89 123.14 42.87 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.983 -1.073 . . . . 0.0 109.846 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.6 tt -68.37 -33.8 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.195 -0.941 . . . . 0.0 109.829 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.8 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD2' ' CE2' ' A' ' 37' ' ' TYR . 87.2 m-20 -60.92 -35.4 76.59 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.29 -1.124 . . . . 0.0 109.452 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -55.49 -41.4 72.96 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.258 -0.902 . . . . 0.0 108.943 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.65 -38.74 92.03 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' HH21 ' A' ' 76' ' ' ARG . 70.8 mttt -61.92 -42.77 99.48 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.474 -0.766 . . . . 0.0 110.209 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.407 HG12 HD11 ' A' ' 32' ' ' ILE . 71.5 mt -60.76 -45.77 97.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 120.799 -1.188 . . . . 0.0 110.018 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD12 ' NZ ' ' A' ' 57' ' ' LYS . 82.1 mt -65.53 -44.4 87.02 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.109 -0.994 . . . . 0.0 110.47 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.45 HH21 ' HG2' ' A' ' 73' ' ' LYS . 80.6 mtm180 -67.05 -46.85 73.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.976 -1.077 . . . . 0.0 110.561 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -62.79 -37.37 86.43 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.199 -0.938 . . . . 0.0 109.807 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' HG22 ' A' ' 52' ' ' ILE . 15.5 m -59.04 -39.07 80.87 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.0 -1.063 . . . . 0.0 108.718 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -60.28 -33.71 72.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.287 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.5 p -58.68 -24.66 61.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 109.232 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 49' ' ' GLU . 62.3 t80 -54.3 -39.56 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.437 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.461 -179.92 . . . . . . . . 0 0 . 1 stop_ save_