data_1luk_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 1luk _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 ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 4.07 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.93 -90.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 4.54 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 67.26 140.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 3.42 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.803 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -122.15 11.79 10.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.22 -0.446 . . . . 1.58 110.887 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.722 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . 3.9 pt-20 -60.08 40.39 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.079 -0.51 . . . . 2.35 111.391 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.03 4.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 1.65 111.315 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 1.026 ' CZ ' ' HB3' ' A' ' 88' ' ' PRO . 92.7 m-85 -93.99 129.04 40.63 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.187 0.518 . . . . 0.85 111.494 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.888 ' CG ' ' O ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -41.35 -21.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 1.93 110.566 179.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 1.202 ' CG ' ' CE2' ' A' ' 34' ' ' PHE . 20.9 p-90 -99.67 -29.46 12.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.447 0.906 . . . . 0.22 113.447 -178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 6' ' ' LEU . 57.0 t80 -64.91 143.15 58.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.713 1.005 . . . . 1.16 113.713 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.796 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . 1.2 m-80 -146.21 97.58 2.96 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.643 -1.162 . . . . 1.35 110.132 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.24 -97.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.423 0.527 . . . . 3.07 112.423 -178.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -40.11 -10.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.228 -0.442 . . . . 2.28 112.003 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.796 ' HB ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -60.17 164.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 113.283 0.846 . . . . 1.12 113.283 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.811 ' CB ' ' CD ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -126.79 -172.78 2.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.432 -1.258 . . . . 1.25 109.317 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 63' ' ' HIS . 1.7 ptt180 -75.15 -38.35 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.328 . . . . 3.87 111.278 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.621 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -74.1 -45.8 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.029 0.751 . . . . 1.95 113.029 -178.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.811 ' CD ' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -56.81 -49.83 74.18 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.023 0.379 . . . . 3.32 112.023 -178.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 1.002 ' O ' HD11 ' A' ' 24' ' ' LEU . . . -48.93 -47.99 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 1.09 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.643 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 34.6 mt-10 -58.57 -46.7 86.34 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.471 -0.566 . . . . 1.83 109.471 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.651 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 6.3 pttt -59.99 -47.69 84.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.584 -0.735 . . . . 2.8 109.919 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 1.002 HD11 ' O ' ' A' ' 21' ' ' ALA . 1.7 pp -66.7 -40.4 88.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 2.4 110.483 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.783 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.3 mt -69.26 -42.88 75.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.86 110.137 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.76 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -60.83 -40.82 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 2.12 110.873 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.29 -46.83 75.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 2.41 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.698 HG23 ' N ' ' A' ' 29' ' ' GLY . 0.6 OUTLIER -51.51 -54.58 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.854 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.698 ' N ' HG23 ' A' ' 28' ' ' THR . . . 81.27 78.54 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.623 -0.799 . . . . 1.22 112.217 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.815 ' HG2' ' CD2' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -141.32 147.44 38.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 2.05 111.521 -179.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 53.8 tt0 -83.14 106.13 14.68 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.676 -0.861 . . . . 2.22 108.676 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.853 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . 83.61 25.5 46.32 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.725 -0.75 . . . . 0.36 112.177 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.831 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -50.28 135.92 20.79 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.149 -0.686 . . . . 1.1 109.149 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 1.202 ' CE2' ' CG ' ' A' ' 11' ' ' TRP . 6.7 t80 -121.58 134.2 55.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.834 1.05 . . . . 0.25 113.834 -177.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.851 ' CE ' ' CD1' ' A' ' 24' ' ' LEU . 50.4 ttm -142.02 168.94 18.56 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.631 -0.713 . . . . 1.22 109.929 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.96 ' CG2' ' CE3' ' A' ' 11' ' ' TRP . 83.9 t -142.17 151.04 18.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.047 0.451 . . . . 1.04 111.398 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.797 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -146.23 119.39 8.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.734 -0.667 . . . . 2.94 110.861 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.578 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . 3.6 t70 -55.26 148.72 14.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.718 -0.673 . . . . 1.38 111.581 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.823 ' CB ' ' NE2' ' A' ' 65' ' ' HIS . 6.3 t -131.93 165.63 23.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.574 -0.739 . . . . 1.86 111.053 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.62 ' O ' ' O ' ' A' ' 41' ' ' THR . 2.4 mmt180 -81.34 -10.97 59.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 4.09 110.313 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.838 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -46.27 -167.79 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.685 -0.689 . . . . 1.8 110.856 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.838 ' HD2' ' CG2' ' A' ' 41' ' ' THR . 98.5 Cg_exo -45.11 0.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.84 2.36 . . . . 1.53 113.627 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 41' ' ' THR . . . 113.39 17.72 7.5 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.249 -0.977 . . . . 0.71 113.262 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.878 ' CB ' ' O ' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -97.75 176.0 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 1.4 112.029 -179.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.984 ' O ' HG12 ' A' ' 66' ' ' ILE . 19.2 m-85 -112.45 162.04 16.04 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.868 -1.06 . . . . 2.31 110.795 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.912 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 23.2 m -96.64 154.07 17.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.352 -0.84 . . . . 1.08 109.576 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.822 ' CG1' ' CE1' ' A' ' 34' ' ' PHE . 32.5 t -126.41 114.27 37.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.165 0.431 . . . . 1.06 112.165 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.734 ' N ' ' O ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -89.56 109.47 20.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.674 -0.491 . . . . 1.92 109.674 178.248 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.696 HG22 ' CG1' ' A' ' 102' ' ' VAL . 31.7 m -114.49 111.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 1.16 109.498 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.831 ' CD1' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -126.05 141.66 51.86 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.495 0.664 . . . . 1.62 112.578 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.853 ' OG1' ' N ' ' A' ' 32' ' ' GLY . 18.7 m -143.05 102.01 3.93 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 114.807 -1.088 . . . . 1.61 111.299 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' A' ' 59' ' ' PRO . 15.5 mtpp -29.27 106.95 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.194 0.521 . . . . 3.99 110.105 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.717 ' O ' ' CB ' ' A' ' 58' ' ' ASN . . . -171.44 171.66 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.424 -0.807 . . . . 1.53 111.535 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' HB2' ' A' ' 60' ' ' CYS . 3.0 mp 89.5 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 1.84 111.132 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.8 mm -68.07 -12.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 3.93 111.161 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -105.89 -12.0 16.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 2.91 111.076 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.67 ' N ' HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -173.12 88.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 4.54 111.26 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.74 ' HA ' ' O ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -132.93 162.2 59.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 4.42 110.431 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.76 ' HD2' ' CG ' ' A' ' 26' ' ' LEU . 32.0 Cg_exo -62.22 -170.25 1.64 Allowed 'Cis proline' 0 C--N 1.343 0.272 0 C-N-CA 123.564 -1.431 . . . . 1.89 112.88 0.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.737 ' O ' ' CA ' ' A' ' 50' ' ' PHE . 9.4 t -116.2 125.83 52.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 1.78 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.762 HD12 ' CD2' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -131.79 109.87 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.333 -0.394 . . . . 1.47 110.625 178.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.729 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 16.0 tttm -106.59 140.61 39.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 1.24 110.645 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.676 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 89.0 m-70 -105.95 106.69 17.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.93 0.395 . . . . 1.28 110.937 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.783 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 13.4 m-85 -101.02 120.78 40.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.891 -0.595 . . . . 1.72 110.753 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.823 ' NE2' ' CB ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -89.4 144.63 25.91 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.334 -0.546 . . . . 1.11 110.647 179.378 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 1.056 HG13 ' CG1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -87.02 104.25 13.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.964 -0.695 . . . . 1.13 110.62 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 1.137 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 1.6 tppt? -67.31 146.97 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 2.33 109.712 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.796 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 3.4 mt-10 -113.78 136.55 52.74 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.488 0.493 . . . . 2.12 110.73 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.866 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -144.72 99.08 3.29 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.704 0.288 . . . . 1.28 110.741 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -37.63 76.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 3.0 111.02 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.794 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -97.11 -152.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.399 . . . . 3.93 110.661 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 52.2 p -146.3 82.55 8.93 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.31 -0.405 . . . . 3.21 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.656 ' O ' ' O ' ' A' ' 74' ' ' LYS . 75.2 Cg_endo -91.83 -18.45 13.24 Favored 'Cis proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.421 -1.491 . . . . 4.52 112.331 -0.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.794 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -20.92 148.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 3.85 111.808 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.866 ' O ' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -164.85 -49.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.238 -0.892 . . . . 4.06 111.083 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 1.137 ' HA ' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -91.69 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 2.12 112.187 -177.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.84 ' CE2' ' HA ' ' A' ' 80' ' ' GLU . 13.2 p90 -173.06 154.28 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.188 -0.915 . . . . 2.11 111.113 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.772 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 28.6 m -129.16 73.92 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 111.75 0.278 . . . . 1.95 111.75 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.772 ' CB ' ' O ' ' A' ' 78' ' ' VAL . . . 138.48 25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.809 -0.357 . . . . 1.31 111.642 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.84 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 62.1 mt-10 46.34 21.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.307 -0.997 . . . . 2.08 108.307 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.889 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -89.76 -77.32 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.347 -1.297 . . . . 2.72 111.843 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.889 ' CE1' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -124.81 120.86 32.93 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.159 -0.928 . . . . 1.74 111.021 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.885 ' HA ' ' O ' ' A' ' 76' ' ' TYR . 15.9 m -101.29 149.16 6.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.647 -0.501 . . . . 1.67 109.647 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.945 ' CD2' ' HA ' ' A' ' 90' ' ' LEU . 21.8 m-85 -142.25 176.38 9.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.403 -0.519 . . . . 2.11 110.998 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.739 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -96.65 3.36 52.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 1.97 110.375 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.755 ' CB ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -165.08 136.63 4.15 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.759 0.79 . . . . 1.95 111.573 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 1.056 ' CG1' HG13 ' A' ' 66' ' ' ILE . 1.4 mp -52.83 -39.87 72.92 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 115.335 -0.848 . . . . 1.12 110.057 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.026 ' HB3' ' CZ ' ' A' ' 9' ' ' TYR . 10.3 Cg_endo -52.95 -48.13 23.79 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.701 1.6 . . . . 0.93 110.874 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.755 HD12 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -70.02 -48.81 56.52 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.956 -1.498 . . . . 1.41 106.956 177.252 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.945 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 7.9 tt -54.86 -34.87 63.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.057 -0.974 . . . . 1.1 108.731 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 1.023 HG21 ' CE2' ' A' ' 34' ' ' PHE . 46.0 mm -79.86 -39.62 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 108.542 -0.91 . . . . 1.06 108.542 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.678 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -58.43 -35.95 72.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.857 -1.065 . . . . 1.6 109.225 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.852 ' CZ ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.16 -34.06 72.55 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.244 -0.65 . . . . 1.41 109.244 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.852 ' CE1' ' CZ ' ' A' ' 93' ' ' TYR . 2.3 m80 -87.45 -20.45 26.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.298 -0.41 . . . . 2.02 110.723 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.706 ' CG ' ' HB3' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -81.74 -42.07 20.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 1.6 110.849 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -95.12 -80.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.64 111.052 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 93' ' ' TYR . 10.9 m-80 -38.99 -86.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 2.07 110.831 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.71 ' HA2' ' CG ' ' A' ' 104' ' ' ARG . . . 138.45 86.26 0.15 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 1.73 112.59 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.798 ' HA3' ' NE2' ' A' ' 94' ' ' HIS . . . -74.76 135.79 19.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.577 -0.821 . . . . 1.91 112.369 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.575 ' C ' HD13 ' A' ' 101' ' ' LEU . . . -52.91 65.29 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.086 -0.578 . . . . 1.91 113.072 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.783 ' HG ' ' CE2' ' A' ' 64' ' ' TYR . 1.1 mp -120.02 -162.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.107 -0.331 . . . . 2.07 110.107 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.707 ' CG2' HG22 ' A' ' 103' ' ' THR . 0.6 OUTLIER -54.22 -13.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 1.78 110.706 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.768 ' O ' ' O ' ' A' ' 104' ' ' ARG . 0.5 OUTLIER 156.34 29.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 1.65 111.261 179.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.768 ' O ' ' O ' ' A' ' 103' ' ' THR . 5.6 ppt_? 37.52 124.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.287 -0.415 . . . . 2.24 111.652 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.987 HD12 ' CG ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -6.27 70.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 1.55 111.328 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.725 ' N ' ' O ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -67.09 -38.83 86.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 2.62 110.449 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.815 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.2 t80 -167.23 94.19 0.68 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 2.1 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.957 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 8.5 Cg_endo -48.61 127.22 15.81 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.457 2.105 . . . . 0.42 112.423 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.979 ' N ' ' O ' ' A' ' 34' ' ' PHE . 2.1 t -98.46 157.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 116.072 -0.513 . . . . 2.05 111.021 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.666 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER -144.17 86.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.582 . . . . 1.63 110.417 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.613 ' H ' ' CE ' ' A' ' 35' ' ' MET . . . -41.1 176.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.28 -0.873 . . . . 2.11 112.514 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 122.561 -0.376 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 3.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -55.93 -90.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 3.94 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 67.26 140.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 2.97 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.215 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -122.15 11.79 10.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.22 -0.446 . . . . 1.58 110.887 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.727 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . 3.9 pt-20 -60.08 40.39 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.079 -0.51 . . . . 2.35 111.391 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.03 4.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 1.22 111.315 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 1.051 ' CZ ' ' HB3' ' A' ' 88' ' ' PRO . 92.7 m-85 -93.99 129.04 40.63 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.187 0.518 . . . . 0.35 111.494 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.888 ' CG ' ' O ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -41.35 -21.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 1.93 110.566 179.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 1.202 ' CG ' ' CE2' ' A' ' 34' ' ' PHE . 20.9 p-90 -99.67 -29.46 12.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.447 0.906 . . . . 0.22 113.447 -178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 1.215 ' CD1' HD12 ' A' ' 6' ' ' LEU . 57.0 t80 -64.91 143.15 58.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.713 1.005 . . . . 0.76 113.713 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.859 ' ND2' HG13 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -146.21 97.58 2.96 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.643 -1.162 . . . . 1.33 110.132 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.24 -97.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.423 0.527 . . . . 2.63 112.423 -178.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -40.11 -10.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.228 -0.442 . . . . 1.9 112.003 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.168 HD11 ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.17 164.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 113.283 0.846 . . . . 0.71 113.283 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.811 ' CB ' ' CD ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -126.79 -172.78 2.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.432 -1.258 . . . . 0.72 109.317 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 63' ' ' HIS . 1.7 ptt180 -75.15 -38.35 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.328 . . . . 3.33 111.278 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.622 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -74.1 -45.8 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.029 0.751 . . . . 1.95 113.029 -178.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.811 ' CD ' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -56.81 -49.83 74.18 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.023 0.379 . . . . 2.91 112.023 -178.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.904 ' HA ' ' CG ' ' A' ' 24' ' ' LEU . . . -48.93 -47.99 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.39 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 1.09 ' HA ' HG21 ' A' ' 61' ' ' ILE . 34.6 mt-10 -58.57 -46.7 86.34 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.471 -0.566 . . . . 1.83 109.471 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 6.3 pttt -59.99 -47.69 84.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.584 -0.735 . . . . 2.31 109.919 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.168 ' CD2' HD11 ' A' ' 16' ' ' ILE . 1.7 pp -66.7 -40.4 88.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 1.77 110.483 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.081 HD11 ' HB3' ' A' ' 48' ' ' SER . 1.3 mt -69.26 -42.88 75.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.23 110.137 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.767 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -60.83 -40.82 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.57 110.873 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.29 -46.83 75.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 2.41 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.963 HG23 ' CD ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -51.51 -54.58 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.32 110.854 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' N ' ' CG2' ' A' ' 28' ' ' THR . . . 81.27 78.54 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.623 -0.799 . . . . 1.22 112.217 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.963 ' CD ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -141.32 147.44 38.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.61 111.521 -179.638 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' HG3' HG23 ' A' ' 51' ' ' THR . 53.8 tt0 -83.14 106.13 14.68 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.676 -0.861 . . . . 2.22 108.676 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.853 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . 83.61 25.5 46.32 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.725 -0.75 . . . . 0.36 112.177 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 1.043 ' HB1' HG23 ' A' ' 109' ' ' VAL . . . -50.28 135.92 20.79 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.149 -0.686 . . . . 0.25 109.149 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 1.22 ' CZ ' HD12 ' A' ' 91' ' ' ILE . 6.7 t80 -121.58 134.2 55.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.834 1.05 . . . . 0.25 113.834 -177.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 1.089 ' CE ' HD13 ' A' ' 24' ' ' LEU . 50.4 ttm -142.02 168.94 18.56 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.631 -0.713 . . . . 0.68 109.929 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.05 HG22 HG22 ' A' ' 47' ' ' VAL . 83.9 t -142.17 151.04 18.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.047 0.451 . . . . 0.21 111.398 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.995 ' HB2' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -146.23 119.39 8.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.734 -0.667 . . . . 2.18 110.861 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.601 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . 3.6 t70 -55.26 148.72 14.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.718 -0.673 . . . . 1.38 111.581 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.823 ' CB ' ' NE2' ' A' ' 65' ' ' HIS . 6.3 t -131.93 165.63 23.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.574 -0.739 . . . . 1.29 111.053 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.62 ' O ' ' O ' ' A' ' 41' ' ' THR . 2.4 mmt180 -81.34 -10.97 59.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 3.68 110.313 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.134 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -46.27 -167.79 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.685 -0.689 . . . . 1.46 110.856 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.845 ' HD2' ' CG2' ' A' ' 41' ' ' THR . 98.5 Cg_exo -45.11 0.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.84 2.36 . . . . 1.28 113.627 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 41' ' ' THR . . . 113.39 17.72 7.5 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.249 -0.977 . . . . 0.65 113.262 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.134 HG23 ' CG2' ' A' ' 41' ' ' THR . 0.6 OUTLIER -97.75 176.0 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 0.73 112.029 -179.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.17 ' CE2' HD21 ' A' ' 6' ' ' LEU . 19.2 m-85 -112.45 162.04 16.04 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.868 -1.06 . . . . 1.39 110.795 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.021 ' O ' HG13 ' A' ' 36' ' ' VAL . 23.2 m -96.64 154.07 17.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.352 -0.84 . . . . 0.24 109.576 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.207 HG13 ' CE1' ' A' ' 34' ' ' PHE . 32.5 t -126.41 114.27 37.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.165 0.431 . . . . 0.19 112.165 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 1.081 ' HB3' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -89.56 109.47 20.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.674 -0.491 . . . . 1.46 109.674 178.248 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.765 HG23 HG11 ' A' ' 102' ' ' VAL . 31.7 m -114.49 111.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.45 109.498 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.036 ' CG ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -126.05 141.66 51.86 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.495 0.664 . . . . 0.95 112.578 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.853 ' OG1' ' N ' ' A' ' 32' ' ' GLY . 18.7 m -143.05 102.01 3.93 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 114.807 -1.088 . . . . 1.05 111.299 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 59' ' ' PRO . 15.5 mtpp -29.27 106.95 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.194 0.521 . . . . 3.57 110.105 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.717 ' O ' ' CB ' ' A' ' 58' ' ' ASN . . . -171.44 171.66 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.424 -0.807 . . . . 1.53 111.535 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.989 HG22 ' H ' ' A' ' 57' ' ' GLU . 3.0 mp 89.5 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 1.41 111.132 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.8 mm -68.07 -12.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 3.49 111.161 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.89 -12.0 16.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 2.57 111.076 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.989 ' H ' HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -173.12 88.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 4.54 111.26 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.75 ' HA ' ' O ' ' A' ' 59' ' ' PRO . 3.9 p30 -132.93 162.2 59.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 3.66 110.431 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.767 ' HD2' ' CG ' ' A' ' 26' ' ' LEU . 32.0 Cg_exo -62.22 -170.25 1.64 Allowed 'Cis proline' 0 C--N 1.343 0.272 0 C-N-CA 123.564 -1.431 . . . . 1.6 112.88 0.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.826 ' SG ' HD11 ' A' ' 54' ' ' ILE . 9.4 t -116.2 125.83 52.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 1.56 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.09 HG21 ' HA ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -131.79 109.87 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.333 -0.394 . . . . 0.84 110.625 178.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.721 ' HB3' ' HE1' ' A' ' 64' ' ' TYR . 16.0 tttm -106.59 140.61 39.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 0.75 110.645 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.712 ' HE2' ' HG3' ' A' ' 22' ' ' GLU . 89.0 m-70 -105.95 106.69 17.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.93 0.395 . . . . 1.0 110.937 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.796 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 13.4 m-85 -101.02 120.78 40.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.891 -0.595 . . . . 1.13 110.753 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 1.271 ' O ' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -89.4 144.63 25.91 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.334 -0.546 . . . . 0.69 110.647 179.378 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.1 HD13 ' N ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -87.02 104.25 13.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.964 -0.695 . . . . 0.45 110.62 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 1.158 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 1.6 tppt? -67.31 146.97 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 1.8 109.712 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.811 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 3.4 mt-10 -113.78 136.55 52.74 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.488 0.493 . . . . 2.12 110.73 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.887 HG21 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -144.72 99.08 3.29 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.704 0.288 . . . . 1.01 110.741 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -37.63 76.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 2.3 111.02 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.794 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -97.11 -152.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.399 . . . . 3.93 110.661 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 52.2 p -146.3 82.55 8.93 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.31 -0.405 . . . . 2.98 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.656 ' O ' ' O ' ' A' ' 74' ' ' LYS . 75.2 Cg_endo -91.83 -18.45 13.24 Favored 'Cis proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.421 -1.491 . . . . 3.88 112.331 -0.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 1.061 ' HB3' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -20.92 148.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 3.4 111.808 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.866 ' O ' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -164.85 -49.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.238 -0.892 . . . . 3.48 111.083 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 1.158 ' HA ' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -91.69 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 1.24 112.187 -177.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.925 ' HA ' HD11 ' A' ' 90' ' ' LEU . 13.2 p90 -173.06 154.28 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.188 -0.915 . . . . 1.25 111.113 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.271 HG12 ' O ' ' A' ' 65' ' ' HIS . 28.6 m -129.16 73.92 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 111.75 0.278 . . . . 1.61 111.75 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.846 ' HB3' ' CD ' ' A' ' 81' ' ' LYS . . . 138.48 25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.809 -0.357 . . . . 0.62 111.642 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.835 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 62.1 mt-10 46.34 21.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.307 -0.997 . . . . 2.08 108.307 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.904 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -89.76 -77.32 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.347 -1.297 . . . . 2.25 111.843 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.904 ' CE1' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -124.81 120.86 32.93 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.159 -0.928 . . . . 1.1 111.021 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.061 HG23 ' HB3' ' A' ' 74' ' ' LYS . 15.9 m -101.29 149.16 6.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.647 -0.501 . . . . 0.95 109.647 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.983 ' CD2' ' HA ' ' A' ' 90' ' ' LEU . 21.8 m-85 -142.25 176.38 9.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.403 -0.519 . . . . 1.24 110.998 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.748 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -96.65 3.36 52.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 1.97 110.375 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.835 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -165.08 136.63 4.15 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.759 0.79 . . . . 1.44 111.573 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.084 ' CG1' HG13 ' A' ' 66' ' ' ILE . 1.4 mp -52.83 -39.87 72.92 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 115.335 -0.848 . . . . 0.36 110.057 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.051 ' HB3' ' CZ ' ' A' ' 9' ' ' TYR . 10.3 Cg_endo -52.95 -48.13 23.79 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.701 1.6 . . . . 0.57 110.874 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -70.02 -48.81 56.52 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.956 -1.498 . . . . 0.79 106.956 177.252 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.983 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 7.9 tt -54.86 -34.87 63.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.057 -0.974 . . . . 0.29 108.731 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.22 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 46.0 mm -79.86 -39.62 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 108.542 -0.91 . . . . 0.26 108.542 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.678 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -58.43 -35.95 72.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.857 -1.065 . . . . 1.6 109.225 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.852 ' CZ ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.16 -34.06 72.55 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.244 -0.65 . . . . 0.91 109.244 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.28 ' CB ' HD22 ' A' ' 105' ' ' LEU . 2.3 m80 -87.45 -20.45 26.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.298 -0.41 . . . . 1.28 110.723 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.72 ' CG ' ' HB3' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -81.74 -42.07 20.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 1.51 110.849 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -95.12 -80.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.28 111.052 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.606 ' HB2' ' O ' ' A' ' 93' ' ' TYR . 11.4 m120 -38.99 -86.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.88 110.831 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.729 ' HA2' ' CG ' ' A' ' 104' ' ' ARG . . . 138.45 86.26 0.15 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 1.48 112.59 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.802 ' HA3' ' NE2' ' A' ' 94' ' ' HIS . . . -74.76 135.79 19.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.577 -0.821 . . . . 1.91 112.369 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.748 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -52.91 65.29 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.086 -0.578 . . . . 1.91 113.072 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.066 HD22 ' CD2' ' A' ' 94' ' ' HIS . 1.1 mp -120.02 -162.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.107 -0.331 . . . . 1.49 110.107 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.041 HG23 HG22 ' A' ' 103' ' ' THR . 0.6 OUTLIER -54.22 -13.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 1.11 110.706 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 1.041 HG22 HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER 156.34 29.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 1.08 111.261 179.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.768 ' O ' ' O ' ' A' ' 103' ' ' THR . 5.6 ppt_? 37.52 124.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.287 -0.415 . . . . 1.78 111.652 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.28 HD22 ' CB ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -6.27 70.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.91 111.328 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.725 ' N ' ' O ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -67.09 -38.83 86.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 2.23 110.449 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.817 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.2 t80 -167.23 94.19 0.68 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 1.23 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 1.008 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 8.5 Cg_endo -48.61 127.22 15.81 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.457 2.105 . . . . 0.42 112.423 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.043 HG23 ' HB1' ' A' ' 33' ' ' ALA . 2.1 t -98.46 157.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 116.072 -0.513 . . . . 1.42 111.021 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.666 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER -144.17 86.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.582 . . . . 1.12 110.417 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.733 ' H ' ' HE1' ' A' ' 35' ' ' MET . . . -41.1 176.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.28 -0.873 . . . . 2.11 112.514 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 122.561 -0.376 . . . . 2.09 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 3.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.93 -90.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 3.94 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 67.26 140.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 2.97 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.215 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -122.15 11.79 10.22 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.22 -0.446 . . . . 1.58 110.887 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.727 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . 3.9 pt-20 -60.08 40.39 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.079 -0.51 . . . . 2.35 111.391 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.03 4.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 1.22 111.315 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 1.051 ' CZ ' ' HB3' ' A' ' 88' ' ' PRO . 92.7 m-85 -93.99 129.04 40.63 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.187 0.518 . . . . 0.35 111.494 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.888 ' CG ' ' O ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -41.35 -21.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 1.93 110.566 179.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 1.202 ' CG ' ' CE2' ' A' ' 34' ' ' PHE . 20.9 p-90 -99.67 -29.46 12.65 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.447 0.906 . . . . 0.22 113.447 -178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 1.215 ' CD1' HD12 ' A' ' 6' ' ' LEU . 57.0 t80 -64.91 143.15 58.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.713 1.005 . . . . 0.76 113.713 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.807 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . 1.2 m-80 -146.21 97.58 2.96 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.643 -1.162 . . . . 1.33 110.132 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.24 -97.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.423 0.527 . . . . 2.63 112.423 -178.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -40.11 -10.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.228 -0.442 . . . . 1.9 112.003 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.168 HD11 ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.17 164.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 113.283 0.846 . . . . 0.71 113.283 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.811 ' CB ' ' CD ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -126.79 -172.78 2.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.432 -1.258 . . . . 0.72 109.317 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' O ' ' NE2' ' A' ' 63' ' ' HIS . 1.7 ptt180 -75.15 -38.35 61.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.328 . . . . 3.33 111.278 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.622 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -74.1 -45.8 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.029 0.751 . . . . 1.95 113.029 -178.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.811 ' CD ' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -56.81 -49.83 74.18 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.023 0.379 . . . . 2.91 112.023 -178.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.904 ' HA ' ' CG ' ' A' ' 24' ' ' LEU . . . -48.93 -47.99 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.39 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 1.09 ' HA ' HG21 ' A' ' 61' ' ' ILE . 34.6 mt-10 -58.57 -46.7 86.34 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.471 -0.566 . . . . 1.83 109.471 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 6.3 pttt -59.99 -47.69 84.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.584 -0.735 . . . . 2.31 109.919 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.168 ' CD2' HD11 ' A' ' 16' ' ' ILE . 1.7 pp -66.7 -40.4 88.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 1.77 110.483 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.081 HD11 ' HB3' ' A' ' 48' ' ' SER . 1.3 mt -69.26 -42.88 75.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.23 110.137 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.767 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -60.83 -40.82 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.57 110.873 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.29 -46.83 75.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 2.41 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.963 HG23 ' CD ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -51.51 -54.58 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.32 110.854 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' N ' ' CG2' ' A' ' 28' ' ' THR . . . 81.27 78.54 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.623 -0.799 . . . . 1.22 112.217 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.963 ' CD ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -141.32 147.44 38.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.61 111.521 -179.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' HG3' HG23 ' A' ' 51' ' ' THR . 53.8 tt0 -83.14 106.13 14.68 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.676 -0.861 . . . . 2.22 108.676 177.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.853 ' N ' ' OG1' ' A' ' 51' ' ' THR . . . 83.61 25.5 46.32 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.725 -0.75 . . . . 0.36 112.177 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 1.043 ' HB1' HG23 ' A' ' 109' ' ' VAL . . . -50.28 135.92 20.79 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.149 -0.686 . . . . 0.25 109.149 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 1.22 ' CZ ' HD12 ' A' ' 91' ' ' ILE . 6.7 t80 -121.58 134.2 55.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.834 1.05 . . . . 0.25 113.834 -177.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 1.089 ' CE ' HD13 ' A' ' 24' ' ' LEU . 50.4 ttm -142.02 168.94 18.56 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.631 -0.713 . . . . 0.68 109.929 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.05 HG22 HG22 ' A' ' 47' ' ' VAL . 83.9 t -142.17 151.04 18.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.047 0.451 . . . . 0.21 111.398 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.995 ' HB2' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -146.23 119.39 8.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.734 -0.667 . . . . 2.18 110.861 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.601 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . 3.6 t70 -55.26 148.72 14.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.718 -0.673 . . . . 1.38 111.581 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.823 ' CB ' ' NE2' ' A' ' 65' ' ' HIS . 6.3 t -131.93 165.63 23.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.574 -0.739 . . . . 1.29 111.053 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.62 ' O ' ' O ' ' A' ' 41' ' ' THR . 2.4 mmt180 -81.34 -10.97 59.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 3.68 110.313 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.134 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -46.27 -167.79 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.685 -0.689 . . . . 1.46 110.856 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.845 ' HD2' ' CG2' ' A' ' 41' ' ' THR . 98.5 Cg_exo -45.11 0.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.84 2.36 . . . . 1.28 113.627 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 41' ' ' THR . . . 113.39 17.72 7.5 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.249 -0.977 . . . . 0.65 113.262 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.134 HG23 ' CG2' ' A' ' 41' ' ' THR . 0.6 OUTLIER -97.75 176.0 5.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 0.73 112.029 -179.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.17 ' CE2' HD21 ' A' ' 6' ' ' LEU . 19.2 m-85 -112.45 162.04 16.04 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 114.868 -1.06 . . . . 1.39 110.795 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.021 ' O ' HG13 ' A' ' 36' ' ' VAL . 23.2 m -96.64 154.07 17.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.352 -0.84 . . . . 0.24 109.576 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.207 HG13 ' CE1' ' A' ' 34' ' ' PHE . 32.5 t -126.41 114.27 37.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.165 0.431 . . . . 0.19 112.165 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 1.081 ' HB3' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -89.56 109.47 20.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.674 -0.491 . . . . 1.46 109.674 178.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.765 HG23 HG11 ' A' ' 102' ' ' VAL . 31.7 m -114.49 111.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 0.45 109.498 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.036 ' CG ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -126.05 141.66 51.86 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.495 0.664 . . . . 0.95 112.578 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.853 ' OG1' ' N ' ' A' ' 32' ' ' GLY . 18.7 m -143.05 102.01 3.93 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 114.807 -1.088 . . . . 1.05 111.299 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 59' ' ' PRO . 15.5 mtpp -29.27 106.95 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.194 0.521 . . . . 3.57 110.105 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.717 ' O ' ' CB ' ' A' ' 58' ' ' ASN . . . -171.44 171.66 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.424 -0.807 . . . . 1.53 111.535 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.989 HG22 ' H ' ' A' ' 57' ' ' GLU . 3.0 mp 89.5 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 1.41 111.132 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.8 mm -68.07 -12.84 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 3.49 111.161 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.89 -12.0 16.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 2.57 111.076 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.989 ' H ' HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -173.12 88.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 4.54 111.26 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.75 ' HA ' ' O ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -132.93 162.2 59.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 3.66 110.431 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.767 ' HD2' ' CG ' ' A' ' 26' ' ' LEU . 32.0 Cg_exo -62.22 -170.25 1.64 Allowed 'Cis proline' 0 C--N 1.343 0.272 0 C-N-CA 123.564 -1.431 . . . . 1.6 112.88 0.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.826 ' SG ' HD11 ' A' ' 54' ' ' ILE . 9.4 t -116.2 125.83 52.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 1.56 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.09 HG21 ' HA ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -131.79 109.87 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.333 -0.394 . . . . 0.84 110.625 178.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.721 ' HB3' ' HE1' ' A' ' 64' ' ' TYR . 16.0 tttm -106.59 140.61 39.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 0.75 110.645 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.712 ' HE2' ' HG3' ' A' ' 22' ' ' GLU . 89.0 m-70 -105.95 106.69 17.31 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.93 0.395 . . . . 1.0 110.937 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.796 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 13.4 m-85 -101.02 120.78 40.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.891 -0.595 . . . . 1.13 110.753 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 1.271 ' O ' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -89.4 144.63 25.91 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.334 -0.546 . . . . 0.69 110.647 179.378 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.1 HD13 ' N ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -87.02 104.25 13.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.964 -0.695 . . . . 0.45 110.62 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 1.158 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 1.6 tppt? -67.31 146.97 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 1.8 109.712 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.811 ' HA ' ' O ' ' A' ' 75' ' ' ARG . 3.4 mt-10 -113.78 136.55 52.74 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.488 0.493 . . . . 2.12 110.73 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.887 HG21 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -144.72 99.08 3.29 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.704 0.288 . . . . 1.01 110.741 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -37.63 76.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 2.3 111.02 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.794 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -97.11 -152.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.399 . . . . 3.93 110.661 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 52.2 p -146.3 82.55 8.93 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.31 -0.405 . . . . 2.98 111.27 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.656 ' O ' ' O ' ' A' ' 74' ' ' LYS . 75.2 Cg_endo -91.83 -18.45 13.24 Favored 'Cis proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.421 -1.491 . . . . 3.88 112.331 -0.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 1.061 ' HB3' HG23 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -20.92 148.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 3.4 111.808 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.866 ' O ' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -164.85 -49.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.238 -0.892 . . . . 3.48 111.083 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 1.158 ' HA ' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -91.69 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 1.24 112.187 -177.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.925 ' HA ' HD11 ' A' ' 90' ' ' LEU . 13.2 p90 -173.06 154.28 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.188 -0.915 . . . . 1.25 111.113 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.271 HG12 ' O ' ' A' ' 65' ' ' HIS . 28.6 m -129.16 73.92 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 111.75 0.278 . . . . 1.61 111.75 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.846 ' HB3' ' CD ' ' A' ' 81' ' ' LYS . . . 138.48 25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.809 -0.357 . . . . 0.62 111.642 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.835 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 62.1 mt-10 46.34 21.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.307 -0.997 . . . . 2.08 108.307 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.904 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -89.76 -77.32 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.347 -1.297 . . . . 2.25 111.843 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.904 ' CE1' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -124.81 120.86 32.93 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.159 -0.928 . . . . 1.1 111.021 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.061 HG23 ' HB3' ' A' ' 74' ' ' LYS . 15.9 m -101.29 149.16 6.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.647 -0.501 . . . . 0.95 109.647 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.983 ' CD2' ' HA ' ' A' ' 90' ' ' LEU . 21.8 m-85 -142.25 176.38 9.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.403 -0.519 . . . . 1.24 110.998 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.748 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -96.65 3.36 52.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 1.97 110.375 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.835 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -165.08 136.63 4.15 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.759 0.79 . . . . 1.44 111.573 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.084 ' CG1' HG13 ' A' ' 66' ' ' ILE . 1.4 mp -52.83 -39.87 72.92 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 115.335 -0.848 . . . . 0.36 110.057 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.051 ' HB3' ' CZ ' ' A' ' 9' ' ' TYR . 10.3 Cg_endo -52.95 -48.13 23.79 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.701 1.6 . . . . 0.57 110.874 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -70.02 -48.81 56.52 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.956 -1.498 . . . . 0.79 106.956 177.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.983 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 7.9 tt -54.86 -34.87 63.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.057 -0.974 . . . . 0.29 108.731 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.22 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 46.0 mm -79.86 -39.62 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 108.542 -0.91 . . . . 0.26 108.542 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.678 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -58.43 -35.95 72.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.857 -1.065 . . . . 1.6 109.225 178.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.852 ' CZ ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -70.16 -34.06 72.55 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.244 -0.65 . . . . 0.91 109.244 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.28 ' CB ' HD22 ' A' ' 105' ' ' LEU . 2.3 m80 -87.45 -20.45 26.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.298 -0.41 . . . . 1.28 110.723 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.72 ' CG ' ' HB3' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -81.74 -42.07 20.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 1.51 110.849 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -95.12 -80.35 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.28 111.052 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.606 ' HB2' ' O ' ' A' ' 93' ' ' TYR . 10.9 m-80 -38.99 -86.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.88 110.831 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.729 ' HA2' ' CG ' ' A' ' 104' ' ' ARG . . . 138.45 86.26 0.15 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 1.48 112.59 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.802 ' HA3' ' NE2' ' A' ' 94' ' ' HIS . . . -74.76 135.79 19.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.577 -0.821 . . . . 1.91 112.369 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.748 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -52.91 65.29 0.0 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.086 -0.578 . . . . 1.91 113.072 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.066 HD22 ' CD2' ' A' ' 94' ' ' HIS . 1.1 mp -120.02 -162.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.107 -0.331 . . . . 1.49 110.107 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.041 HG23 HG22 ' A' ' 103' ' ' THR . 0.6 OUTLIER -54.22 -13.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 1.11 110.706 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 1.041 HG22 HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER 156.34 29.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 1.08 111.261 179.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.768 ' O ' ' O ' ' A' ' 103' ' ' THR . 5.6 ppt_? 37.52 124.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.287 -0.415 . . . . 1.78 111.652 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.28 HD22 ' CB ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -6.27 70.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.91 111.328 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.725 ' N ' ' O ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -67.09 -38.83 86.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 2.23 110.449 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.817 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.2 t80 -167.23 94.19 0.68 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 1.23 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 1.008 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 8.5 Cg_endo -48.61 127.22 15.81 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.457 2.105 . . . . 0.42 112.423 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.043 HG23 ' HB1' ' A' ' 33' ' ' ALA . 2.1 t -98.46 157.35 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 CA-C-N 116.072 -0.513 . . . . 1.42 111.021 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.666 ' O ' ' SG ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER -144.17 86.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.582 . . . . 1.12 110.417 178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.733 ' H ' ' HE1' ' A' ' 35' ' ' MET . . . -41.1 176.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.28 -0.873 . . . . 2.11 112.514 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 122.561 -0.376 . . . . 2.09 . . . . . . . . . . 0 0 . 1 stop_ save_