data_2ers_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 2ers _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 115.888 1.81 . . . . 12.0 115.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' A' ' 49' ' ' TYR . 11.9 t -109.41 168.97 9.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 112.561 -2.109 . . . . 12.0 109.707 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.3 m -104.21 160.48 25.92 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 114.442 -1.254 . . . . 12.0 112.498 -171.52 -72.33 -139.209 -141.323 101.579 2.038 107.486 -159.187 -126.931 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 84' ' ' ALA . 38.0 Cg_endo -62.14 162.61 22.45 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.447 2.098 . . . . 12.0 110.663 167.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.71 127.88 21.81 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.201 1.934 . . . . 12.0 113.141 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.33 110.77 2.75 Favored 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 123.005 2.47 . . . . 12.0 110.006 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.39 84.36 2.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.569 -1.65 . . . . 12.0 108.17 -175.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -153.84 -141.07 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.684 -1.598 . . . . 12.0 110.518 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 91' ' ' LEU 0.326 0.5 OUTLIER 59.17 -79.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 N-CA-C 117.138 2.273 . . . . 12.0 117.138 177.448 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' H ' ' CG1' ' A' ' 39' ' ' VAL 0.275 66.8 mt-10 103.44 -75.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 131.448 3.899 . . . . 12.0 112.259 -175.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -89.87 48.6 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.58 0.956 . . . . 12.0 113.58 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -164.18 151.39 11.86 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.25 1.945 . . . . 12.0 116.25 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.38 150.46 26.71 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.238 -1.346 . . . . 12.0 113.172 172.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 55' ' ' GLU . 2.1 tt -135.97 149.32 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 114.683 -1.144 . . . . 12.0 111.025 169.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.72 129.08 42.07 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 125.364 1.665 . . . . 12.0 110.559 166.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 104.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 112.124 -2.307 . . . . 12.0 108.585 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -69.01 -33.38 73.56 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.346 2.721 . . . . 12.0 118.346 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 p -130.28 5.18 4.81 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.447 2.018 . . . . 12.0 116.447 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 10.2 m-85 45.92 -166.65 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.42 1.488 . . . . 12.0 111.944 -169.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.69 148.4 0.1 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.366 1.466 . . . . 12.0 111.637 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.8 132.06 51.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.81 0.844 . . . . 12.0 108.967 169.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 53.99 48.3 21.46 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 114.554 1.316 . . . . 12.0 114.554 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.4 t -113.38 136.94 52.22 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.602 -1.636 . . . . 12.0 110.377 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -98.63 136.68 38.36 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.229 -1.35 . . . . 12.0 109.672 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.775 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.7 mp0 -137.26 139.47 40.98 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.364 -1.289 . . . . 12.0 112.579 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -109.4 141.74 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.707 -1.588 . . . . 12.0 110.9 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.552 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 70.1 m-85 -72.85 135.99 45.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.427 -1.715 . . . . 12.0 112.612 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.28 7.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 126.203 1.801 . . . . 12.0 113.031 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HA ' ' HG ' ' A' ' 93' ' ' CYS . 22.4 m 53.44 174.35 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.403 1.081 . . . . 12.0 112.545 -159.647 -79.932 -41.295 -84.457 104.101 2.04 107.433 -91.724 -75.719 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -68.1 176.68 2.56 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 120.653 -1.279 . . . . 12.0 108.669 165.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 t -66.39 89.91 0.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.973 0.731 . . . . 12.0 112.973 -170.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.62 -27.82 14.07 Favored Glycine 0 CA--C 1.544 1.862 0 CA-C-N 113.822 -1.535 . . . . 12.0 114.46 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -49.32 151.09 1.56 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.802 1.408 . . . . 12.0 114.802 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -117.01 151.14 37.39 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.23 -0.895 . . . . 12.0 108.973 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HB3' HG23 ' A' ' 69' ' ' THR . 23.4 mtm180 -65.85 121.83 15.95 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.724 0.773 . . . . 12.0 110.714 164.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 69' ' ' THR . 39.9 tptt -46.58 154.48 0.3 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 114.504 -1.226 . . . . 12.0 110.412 163.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 102.92 0.2 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.103 0.561 . . . . 12.0 111.717 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.31 -27.3 8.58 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 113.722 -1.581 . . . . 12.0 116.071 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.913 ' HG1' ' H ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -58.89 141.14 54.26 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 114.061 1.134 . . . . 12.0 114.061 -179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -126.83 117.96 23.67 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 112.415 -2.175 . . . . 12.0 110.895 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.528 ' HB3' ' HB2' ' A' ' 91' ' ' LEU . 7.3 p -110.93 66.39 0.63 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.003 -1.453 . . . . 12.0 112.824 171.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -108.05 97.14 6.88 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 114.154 -1.385 . . . . 12.0 109.224 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.573 ' OG1' ' HB3' ' A' ' 86' ' ' TRP . 9.2 t -92.72 103.09 15.49 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.487 -2.142 . . . . 12.0 109.114 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -112.81 133.18 54.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 112.873 -1.967 . . . . 12.0 109.317 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 76.64 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 123.38 1.562 . . . . 12.0 113.776 176.462 -126.931 -159.187 -141.323 107.486 2.038 101.579 -139.209 -72.33 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -84.7 129.21 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 111.729 -2.487 . . . . 12.0 111.976 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -75.22 106.64 6.85 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.798 -1.092 . . . . 12.0 109.25 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.483 ' HB3' HG22 ' A' ' 81' ' ' THR . 31.6 t30 -67.9 18.08 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.851 2.167 . . . . 12.0 116.851 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 46.85 21.67 0.16 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.493 2.775 . . . . 12.0 118.493 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -150.27 -61.79 0.2 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.939 0.896 . . . . 12.0 112.119 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 78' ' ' ASN . 14.1 t -66.26 -4.77 8.47 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.6 1.704 . . . . 12.0 115.6 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 49.16 6.94 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 119.021 2.971 . . . . 12.0 119.021 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 p -120.78 121.01 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.549 0.69 . . . . 12.0 109.795 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.421 ' O ' ' HD2' ' A' ' 34' ' ' PRO . . . -66.95 118.4 10.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 112.546 -2.116 . . . . 12.0 110.687 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -107.71 -171.97 1.98 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 113.686 -1.597 . . . . 12.0 112.051 173.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.573 ' HB3' ' OG1' ' A' ' 73' ' ' THR . 99.0 m95 -110.72 67.84 0.65 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.564 1.69 . . . . 12.0 115.564 -158.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p 29.38 -160.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 113.158 -1.837 . . . . 12.0 114.876 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.3 m -128.21 88.06 53.75 Favored Pre-proline 0 N--CA 1.481 1.079 0 N-CA-C 108.079 -1.082 . . . . 12.0 108.079 161.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -89.55 126.91 1.58 Allowed 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 121.47 1.447 . . . . 12.0 110.543 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -62.82 -57.62 10.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.407 -0.815 . . . . 12.0 112.623 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 39' ' ' VAL . 2.7 tm? 47.8 118.78 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 116.638 2.088 . . . . 12.0 116.638 -172.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.913 ' H ' ' HG1' ' A' ' 69' ' ' THR . 97.3 mttt -120.23 78.95 1.4 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 112.646 -2.07 . . . . 12.0 112.058 167.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 91' ' ' LEU . 54.4 m -76.53 108.97 9.89 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.345 -1.752 . . . . 12.0 108.775 169.301 -75.719 -91.724 -84.457 107.433 2.04 104.101 -41.295 -79.932 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.46 133.3 55.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 112.719 -2.037 . . . . 12.0 109.023 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.77 146.18 0.08 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 114.819 -1.082 . . . . 12.0 112.704 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 128.023 2.529 . . . . 12.0 116.503 10.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 115.888 1.81 . . . . 12.0 115.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' A' ' 49' ' ' TYR . 11.9 t -109.41 168.97 9.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 112.561 -2.109 . . . . 12.0 109.707 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.3 m -104.21 160.48 25.92 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 114.442 -1.254 . . . . 12.0 112.498 -171.52 -72.33 -139.209 -141.323 101.579 2.038 107.486 -159.187 -126.931 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 84' ' ' ALA . 38.0 Cg_endo -62.14 162.61 22.45 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.447 2.098 . . . . 12.0 110.663 167.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 29.8 Cg_endo -62.71 127.88 21.81 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.201 1.934 . . . . 12.0 113.141 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 40.6 Cg_endo -70.33 110.77 2.75 Favored 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 123.005 2.47 . . . . 12.0 110.006 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.39 84.36 2.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.569 -1.65 . . . . 12.0 108.17 -175.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -153.84 -141.07 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.684 -1.598 . . . . 12.0 110.518 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 91' ' ' LEU 0.326 0.5 OUTLIER 59.17 -79.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 N-CA-C 117.138 2.273 . . . . 12.0 117.138 177.448 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' H ' ' CG1' ' A' ' 39' ' ' VAL 0.275 66.8 mt-10 103.44 -75.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 131.448 3.899 . . . . 12.0 112.259 -175.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -89.87 48.6 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.58 0.956 . . . . 12.0 113.58 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -164.18 151.39 11.86 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.25 1.945 . . . . 12.0 116.25 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.38 150.46 26.71 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.238 -1.346 . . . . 12.0 113.172 172.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 55' ' ' GLU . 2.1 tt -135.97 149.32 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 114.683 -1.144 . . . . 12.0 111.025 169.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.72 129.08 42.07 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 125.364 1.665 . . . . 12.0 110.559 166.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 104.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 112.124 -2.307 . . . . 12.0 108.585 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -69.01 -33.38 73.56 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.346 2.721 . . . . 12.0 118.346 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 p -130.28 5.18 4.81 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.447 2.018 . . . . 12.0 116.447 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 10.2 m-85 45.92 -166.65 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.42 1.488 . . . . 12.0 111.944 -169.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.69 148.4 0.1 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.366 1.466 . . . . 12.0 111.637 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.8 132.06 51.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.81 0.844 . . . . 12.0 108.967 169.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 53.99 48.3 21.46 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 114.554 1.316 . . . . 12.0 114.554 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.4 t -113.38 136.94 52.22 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.602 -1.636 . . . . 12.0 110.377 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -98.63 136.68 38.36 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.229 -1.35 . . . . 12.0 109.672 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.783 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.7 mp0 -137.26 139.47 40.98 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.364 -1.289 . . . . 12.0 112.579 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -109.4 141.74 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.707 -1.588 . . . . 12.0 110.9 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 70.1 m-85 -72.85 135.99 45.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.427 -1.715 . . . . 12.0 112.612 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.28 7.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 126.203 1.801 . . . . 12.0 113.031 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.4 m 53.44 174.35 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.403 1.081 . . . . 12.0 112.545 -159.647 -79.932 -41.295 -84.457 104.101 2.04 107.433 -91.724 -75.719 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -68.1 176.68 2.56 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 120.653 -1.279 . . . . 12.0 108.669 165.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 t -66.39 89.91 0.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.973 0.731 . . . . 12.0 112.973 -170.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.62 -27.82 14.07 Favored Glycine 0 CA--C 1.544 1.862 0 CA-C-N 113.822 -1.535 . . . . 12.0 114.46 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -49.32 151.09 1.56 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.802 1.408 . . . . 12.0 114.802 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -117.01 151.14 37.39 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.23 -0.895 . . . . 12.0 108.973 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HB3' HG23 ' A' ' 69' ' ' THR . 23.4 mtm180 -65.85 121.83 15.95 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.724 0.773 . . . . 12.0 110.714 164.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 69' ' ' THR . 39.9 tptt -46.58 154.48 0.3 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 114.504 -1.226 . . . . 12.0 110.412 163.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 102.92 0.2 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.103 0.561 . . . . 12.0 111.717 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.31 -27.3 8.58 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 113.722 -1.581 . . . . 12.0 116.071 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.565 ' OG1' ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -58.89 141.14 54.26 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 114.061 1.134 . . . . 12.0 114.061 -179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -126.83 117.96 23.67 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 112.415 -2.175 . . . . 12.0 110.895 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 91' ' ' LEU . 7.3 p -110.93 66.39 0.63 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.003 -1.453 . . . . 12.0 112.824 171.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 72' ' ' LEU . 1.2 tm? -108.05 97.14 6.88 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 114.154 -1.385 . . . . 12.0 109.224 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.566 ' OG1' ' HB3' ' A' ' 86' ' ' TRP . 9.2 t -92.72 103.09 15.49 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.487 -2.142 . . . . 12.0 109.114 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -112.81 133.18 54.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 112.873 -1.967 . . . . 12.0 109.317 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 76.64 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 123.38 1.562 . . . . 12.0 113.776 176.462 -126.931 -159.187 -141.323 107.486 2.038 101.579 -139.209 -72.33 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -84.7 129.21 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 111.729 -2.487 . . . . 12.0 111.976 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -75.22 106.64 6.85 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.798 -1.092 . . . . 12.0 109.25 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 81' ' ' THR . 31.6 t30 -67.9 18.08 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.851 2.167 . . . . 12.0 116.851 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 46.85 21.67 0.16 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.493 2.775 . . . . 12.0 118.493 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -150.27 -61.79 0.2 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.939 0.896 . . . . 12.0 112.119 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 78' ' ' ASN . 14.1 t -66.26 -4.77 8.47 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.6 1.704 . . . . 12.0 115.6 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 49.16 6.94 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 119.021 2.971 . . . . 12.0 119.021 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 p -120.78 121.01 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.549 0.69 . . . . 12.0 109.795 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.419 ' O ' ' HD2' ' A' ' 34' ' ' PRO . . . -66.95 118.4 10.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 112.546 -2.116 . . . . 12.0 110.687 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -107.71 -171.97 1.98 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 113.686 -1.597 . . . . 12.0 112.051 173.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.566 ' HB3' ' OG1' ' A' ' 73' ' ' THR . 99.0 m95 -110.72 67.84 0.65 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.564 1.69 . . . . 12.0 115.564 -158.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p 29.38 -160.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 113.158 -1.837 . . . . 12.0 114.876 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.3 m -128.21 88.06 53.75 Favored Pre-proline 0 N--CA 1.481 1.079 0 N-CA-C 108.079 -1.082 . . . . 12.0 108.079 161.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -89.55 126.91 1.58 Allowed 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 121.47 1.447 . . . . 12.0 110.543 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -62.82 -57.62 10.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.407 -0.815 . . . . 12.0 112.623 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 39' ' ' VAL . 2.7 tm? 47.8 118.78 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 116.638 2.088 . . . . 12.0 116.638 -172.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -120.23 78.95 1.4 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 112.646 -2.07 . . . . 12.0 112.058 167.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.57 ' SG ' HD11 ' A' ' 91' ' ' LEU . 54.4 m -76.53 108.97 9.89 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.345 -1.752 . . . . 12.0 108.775 169.301 -75.719 -91.724 -84.457 107.433 2.04 104.101 -41.295 -79.932 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.46 133.3 55.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 112.719 -2.037 . . . . 12.0 109.023 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -38.77 146.18 0.08 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 114.819 -1.082 . . . . 12.0 112.704 174.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 128.023 2.529 . . . . 12.0 116.503 10.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 115.888 1.81 . . . . 12.0 115.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' A' ' 49' ' ' TYR . 11.9 t -109.41 168.97 9.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 112.561 -2.109 . . . . 12.0 109.707 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.3 m -104.21 160.48 25.92 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 114.442 -1.254 . . . . 12.0 112.498 -171.52 -72.33 -139.209 -141.323 101.579 2.038 107.486 -159.187 -126.931 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 84' ' ' ALA . 38.0 Cg_endo -62.14 162.61 22.45 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.447 2.098 . . . . 12.0 110.663 167.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 29.8 Cg_endo -62.71 127.88 21.81 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.201 1.934 . . . . 12.0 113.141 174.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 35' ' ' PRO . 40.6 Cg_endo -70.33 110.77 2.75 Favored 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 123.005 2.47 . . . . 12.0 110.006 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.39 84.36 2.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.569 -1.65 . . . . 12.0 108.17 -175.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -153.84 -141.07 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.684 -1.598 . . . . 12.0 110.518 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 91' ' ' LEU 0.326 0.5 OUTLIER 59.17 -79.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 N-CA-C 117.138 2.273 . . . . 12.0 117.138 177.448 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' H ' ' CG1' ' A' ' 39' ' ' VAL 0.275 66.8 mt-10 103.44 -75.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 131.448 3.899 . . . . 12.0 112.259 -175.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -89.87 48.6 1.6 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.58 0.956 . . . . 12.0 113.58 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -164.18 151.39 11.86 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.25 1.945 . . . . 12.0 116.25 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.38 150.46 26.71 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.238 -1.346 . . . . 12.0 113.172 172.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 55' ' ' GLU . 2.1 tt -135.97 149.32 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 114.683 -1.144 . . . . 12.0 111.025 169.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.72 129.08 42.07 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 125.364 1.665 . . . . 12.0 110.559 166.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 104.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 112.124 -2.307 . . . . 12.0 108.585 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -69.01 -33.38 73.56 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.346 2.721 . . . . 12.0 118.346 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 p -130.28 5.18 4.81 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.447 2.018 . . . . 12.0 116.447 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 10.2 m-85 45.92 -166.65 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.42 1.488 . . . . 12.0 111.944 -169.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.69 148.4 0.1 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.366 1.466 . . . . 12.0 111.637 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -61.8 132.06 51.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.81 0.844 . . . . 12.0 108.967 169.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 53.99 48.3 21.46 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 114.554 1.316 . . . . 12.0 114.554 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.4 t -113.38 136.94 52.22 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.602 -1.636 . . . . 12.0 110.377 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -98.63 136.68 38.36 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.229 -1.35 . . . . 12.0 109.672 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.783 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.7 mp0 -137.26 139.47 40.98 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.364 -1.289 . . . . 12.0 112.579 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -109.4 141.74 41.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.707 -1.588 . . . . 12.0 110.9 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 70.1 m-85 -72.85 135.99 45.27 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.427 -1.715 . . . . 12.0 112.612 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.28 7.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 126.203 1.801 . . . . 12.0 113.031 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.4 m 53.44 174.35 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.403 1.081 . . . . 12.0 112.545 -159.647 -79.932 -41.295 -84.457 104.101 2.04 107.433 -91.724 -75.719 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -68.1 176.68 2.56 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 120.653 -1.279 . . . . 12.0 108.669 165.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 t -66.39 89.91 0.15 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.973 0.731 . . . . 12.0 112.973 -170.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.62 -27.82 14.07 Favored Glycine 0 CA--C 1.544 1.862 0 CA-C-N 113.822 -1.535 . . . . 12.0 114.46 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -49.32 151.09 1.56 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.802 1.408 . . . . 12.0 114.802 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -117.01 151.14 37.39 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.23 -0.895 . . . . 12.0 108.973 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HB3' HG23 ' A' ' 69' ' ' THR . 23.4 mtm180 -65.85 121.83 15.95 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.724 0.773 . . . . 12.0 110.714 164.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 69' ' ' THR . 39.9 tptt -46.58 154.48 0.3 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 114.504 -1.226 . . . . 12.0 110.412 163.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 102.92 0.2 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.103 0.561 . . . . 12.0 111.717 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.31 -27.3 8.58 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 113.722 -1.581 . . . . 12.0 116.071 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.565 ' OG1' ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -58.89 141.14 54.26 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 114.061 1.134 . . . . 12.0 114.061 -179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -126.83 117.96 23.67 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 112.415 -2.175 . . . . 12.0 110.895 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 91' ' ' LEU . 7.3 p -110.93 66.39 0.63 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.003 -1.453 . . . . 12.0 112.824 171.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 72' ' ' LEU . 1.2 tm? -108.05 97.14 6.88 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 114.154 -1.385 . . . . 12.0 109.224 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.566 ' OG1' ' HB3' ' A' ' 86' ' ' TRP . 9.2 t -92.72 103.09 15.49 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.487 -2.142 . . . . 12.0 109.114 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -112.81 133.18 54.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 112.873 -1.967 . . . . 12.0 109.317 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 76.64 2.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 123.38 1.562 . . . . 12.0 113.776 176.462 -126.931 -159.187 -141.323 107.486 2.038 101.579 -139.209 -72.33 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -84.7 129.21 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-N 111.729 -2.487 . . . . 12.0 111.976 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -75.22 106.64 6.85 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.798 -1.092 . . . . 12.0 109.25 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 81' ' ' THR . 31.6 t30 -67.9 18.08 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.851 2.167 . . . . 12.0 116.851 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 46.85 21.67 0.16 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.493 2.775 . . . . 12.0 118.493 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -150.27 -61.79 0.2 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.939 0.896 . . . . 12.0 112.119 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 78' ' ' ASN . 14.1 t -66.26 -4.77 8.47 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.6 1.704 . . . . 12.0 115.6 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 49.16 6.94 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 119.021 2.971 . . . . 12.0 119.021 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 p -120.78 121.01 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.549 0.69 . . . . 12.0 109.795 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.419 ' O ' ' HD2' ' A' ' 34' ' ' PRO . . . -66.95 118.4 10.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 112.546 -2.116 . . . . 12.0 110.687 174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -107.71 -171.97 1.98 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 113.686 -1.597 . . . . 12.0 112.051 173.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.566 ' HB3' ' OG1' ' A' ' 73' ' ' THR . 99.0 m95 -110.72 67.84 0.65 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.564 1.69 . . . . 12.0 115.564 -158.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p 29.38 -160.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 113.158 -1.837 . . . . 12.0 114.876 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.3 m -128.21 88.06 53.75 Favored Pre-proline 0 N--CA 1.481 1.079 0 N-CA-C 108.079 -1.082 . . . . 12.0 108.079 161.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -89.55 126.91 1.58 Allowed 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 121.47 1.447 . . . . 12.0 110.543 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -62.82 -57.62 10.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.407 -0.815 . . . . 12.0 112.623 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 39' ' ' VAL . 2.7 tm? 47.8 118.78 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 116.638 2.088 . . . . 12.0 116.638 -172.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -120.23 78.95 1.4 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 112.646 -2.07 . . . . 12.0 112.058 167.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.57 ' SG ' HD11 ' A' ' 91' ' ' LEU . 54.4 m -76.53 108.97 9.89 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.345 -1.752 . . . . 12.0 108.775 169.301 -75.719 -91.724 -84.457 107.433 2.04 104.101 -41.295 -79.932 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.46 133.3 55.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 112.719 -2.037 . . . . 12.0 109.023 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -38.77 146.18 0.08 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 114.819 -1.082 . . . . 12.0 112.704 174.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 128.023 2.529 . . . . 12.0 116.503 10.847 . . . . . . . . 2 2 . 1 stop_ save_