data_1ug4_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 1ug4 _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.468 0.175 . . . . 21.6 110.935 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -126.98 133.67 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.007 -1.479 . . . . 38.2 107.007 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.0 m -123.91 155.87 37.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.771 -0.372 . . . . 20.07 110.588 179.587 -58.099 -63.533 -86.262 102.343 2.028 103.237 -45.434 -67.329 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -79.8 154.56 28.39 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.217 -1.401 . . . . 20.44 107.217 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -145.55 165.21 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 107.39 -1.337 . . . . 26.21 107.39 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -74.34 -30.26 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 115.877 1.806 . . . . 34.03 115.877 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mt -90.97 148.87 39.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.57 0.582 . . . . 37.08 112.57 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -61.36 149.89 87.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 N-CA-C 108.043 -1.56 . . . . 33.46 108.043 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.56 17.01 3.86 Favored 'Cis proline' 0 N--CA 1.465 -0.17 0 N-CA-C 115.292 1.228 . . . . 30.19 115.292 0.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 72.81 10.7 5.45 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 117.183 2.29 . . . . 33.31 117.183 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -155.77 159.86 39.8 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 105.58 -2.008 . . . . 45.8 105.58 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' NZ ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.94 140.88 13.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.722 -0.791 . . . . 41.38 111.895 178.65 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -79.69 124.27 28.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.989 -1.485 . . . . 29.22 106.989 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.63 140.01 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.445 -0.798 . . . . 26.15 112.215 -178.959 -54.114 -48.118 -82.812 103.777 2.028 102.883 -100.712 -58.581 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.08 164.29 26.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.675 -1.972 . . . . 31.92 105.675 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.81 138.27 58.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.629 -1.249 . . . . 36.11 107.629 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.46 -34.35 5.44 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 109.759 -1.336 . . . . 39.58 109.759 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -98.12 95.47 7.45 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.579 -0.526 . . . . 39.9 109.579 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.23 28.03 9.03 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.949 1.092 . . . . 31.97 113.949 -179.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -140.88 148.61 40.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 27.91 109.624 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.3 m -108.63 150.22 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 101.982 -3.34 . . . . 19.19 101.982 175.581 -67.329 -45.434 -86.262 103.237 2.028 102.343 -63.533 -58.099 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.86 165.69 28.15 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.574 -0.85 . . . . 29.24 111.722 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' NZ ' ' CZ ' ' A' ' 25' ' ' PHE . 1.8 mtpm? -137.39 136.98 38.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 102.819 -3.03 . . . . 36.2 102.819 178.392 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.5 ttm -116.57 131.83 56.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 40.42 110.811 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CZ ' ' NZ ' ' A' ' 23' ' ' LYS . 60.2 m-85 -118.89 150.88 39.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.065 -0.516 . . . . 39.36 110.851 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.01 130.32 56.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 105.376 -2.083 . . . . 54.39 105.376 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.35 149.18 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.552 0.575 . . . . 52.9 112.552 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' C ' ' O ' ' A' ' 68' ' ' HOH . . . 68.89 25.61 6.06 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.615 -0.721 . . . . 61.42 109.11 -179.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' HOH . . . -176.57 45.7 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.357 -0.838 . . . . 65.84 110.265 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 68.8 Cg_endo -68.1 -37.74 14.04 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 120.71 0.94 . . . . 68.19 111.674 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -49.46 -33.58 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 72.8 110.819 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.53 127.07 29.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 113.282 0.845 . . . . 67.94 113.282 -179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -82.18 148.64 15.05 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.408 2.072 . . . . 62.36 109.037 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.11 -31.76 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.079 0.466 . . . . 51.71 111.538 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -153.74 142.57 21.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.482 -0.562 . . . . 46.25 109.482 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -144.72 139.16 27.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.781 -1.563 . . . . 33.49 106.781 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.64 -158.64 31.69 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 119.311 -1.423 . . . . 21.77 114.387 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -91.99 154.27 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.649 0.379 . . . . 25.81 111.242 179.783 -58.581 -100.712 -82.812 102.883 2.028 103.777 -48.118 -54.114 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.2 tt -161.24 158.16 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.443 -0.503 . . . . 28.64 111.181 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.34 -43.74 14.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.829 0.677 . . . . 31.56 112.829 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.26 149.05 32.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.226 -0.657 . . . . 31.55 109.226 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -79.0 110.66 15.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.524 -0.917 . . . . 27.55 108.524 179.893 -164.456 65.893 88.01 103.229 2.027 104.623 115.573 -51.373 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -56.05 144.16 80.56 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 121.813 1.675 . . . . 28.32 112.578 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.53 134.81 45.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 41.76 111.324 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -77.54 158.38 29.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 29.27 110.149 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.4 p -136.5 -168.23 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.452 -1.314 . . . . 31.76 107.452 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.59 -19.64 61.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.034 0.383 . . . . 34.88 112.034 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.7 mt -110.49 -25.92 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.966 1.469 . . . . 35.8 114.966 -177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.24 132.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 31.54 111.524 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -118.5 140.47 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.981 0.42 . . . . 34.71 110.22 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.4 139.39 53.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 25.87 110.358 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.93 127.62 66.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 105.255 -2.128 . . . . 21.24 105.255 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -128.27 150.07 50.21 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.079 -0.648 . . . . 22.48 112.454 -177.827 -51.373 115.573 88.01 104.623 2.027 103.229 65.893 -164.456 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 p -144.16 167.05 23.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.476 -1.305 . . . . 19.16 107.476 179.002 49.768 95.751 92.774 100.361 2.028 103.337 87.155 60.778 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.28 31.34 5.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 120.376 3.473 . . . . 28.43 120.376 -175.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.1 p -128.84 156.63 43.33 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 107.921 -1.14 . . . . 21.04 107.921 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -50.46 130.53 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 116.137 1.903 . . . . 22.93 116.137 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 50.08 34.04 7.78 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 116.401 2.001 . . . . 31.18 116.401 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.66 -12.44 57.63 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.936 1.087 . . . . 18.31 113.936 -179.014 60.778 87.155 92.774 103.337 2.028 100.361 95.751 49.768 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 115.09 1.515 . . . . 29.95 115.09 -177.548 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . 0.59 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.468 0.175 . . . . 21.6 110.935 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -126.98 133.67 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.007 -1.479 . . . . 38.2 107.007 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.0 m -123.91 155.87 37.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.771 -0.372 . . . . 20.07 110.588 179.587 -58.099 -63.533 -86.262 102.343 2.028 103.237 -45.434 -67.329 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' OD1' ' HD2' ' A' ' 58' ' ' ARG . 82.1 m-20 -79.8 154.56 28.39 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.217 -1.401 . . . . 20.44 107.217 177.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -145.55 165.21 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 107.39 -1.337 . . . . 26.21 107.39 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -74.34 -30.26 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 115.877 1.806 . . . . 34.03 115.877 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mt -90.97 148.87 39.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.57 0.582 . . . . 37.08 112.57 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 10' ' ' PHE . 90.8 Cg_exo -61.36 149.89 87.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 N-CA-C 108.043 -1.56 . . . . 33.46 108.043 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.56 17.01 3.86 Favored 'Cis proline' 0 N--CA 1.465 -0.17 0 N-CA-C 115.292 1.228 . . . . 30.19 115.292 0.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 8' ' ' PRO . 36.9 m-85 72.81 10.7 5.45 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 117.183 2.29 . . . . 33.31 117.183 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -155.77 159.86 39.8 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 105.58 -2.008 . . . . 45.8 105.58 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.781 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.94 140.88 13.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.722 -0.791 . . . . 41.38 111.895 178.65 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -79.69 124.27 28.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.989 -1.485 . . . . 29.22 106.989 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.63 140.01 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.445 -0.798 . . . . 26.15 112.215 -178.959 -54.114 -48.118 -82.812 103.777 2.028 102.883 -100.712 -58.581 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.08 164.29 26.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.675 -1.972 . . . . 31.92 105.675 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.81 138.27 58.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.629 -1.249 . . . . 36.11 107.629 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.46 -34.35 5.44 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 109.759 -1.336 . . . . 39.58 109.759 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -98.12 95.47 7.45 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.579 -0.526 . . . . 39.9 109.579 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.23 28.03 9.03 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.949 1.092 . . . . 31.97 113.949 -179.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -140.88 148.61 40.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 27.91 109.624 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.3 m -108.63 150.22 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 101.982 -3.34 . . . . 19.19 101.982 175.581 -67.329 -45.434 -86.262 103.237 2.028 102.343 -63.533 -58.099 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.86 165.69 28.15 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.574 -0.85 . . . . 29.24 111.722 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' NZ ' ' CZ ' ' A' ' 25' ' ' PHE . 1.8 mtpm? -137.39 136.98 38.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 102.819 -3.03 . . . . 36.2 102.819 178.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 33.5 ttm -116.57 131.83 56.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 40.42 110.811 179.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CZ ' ' NZ ' ' A' ' 23' ' ' LYS . 60.2 m-85 -118.89 150.88 39.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.065 -0.516 . . . . 39.36 110.851 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . 0.429 ' SD ' HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -115.01 130.32 56.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 105.376 -2.083 . . . . 54.39 105.376 178.361 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG21 ' O ' ' A' ' 47' ' ' LEU . 88.0 t -51.35 149.18 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.552 0.575 . . . . 52.9 112.552 -179.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' C ' ' O ' ' A' ' 68' ' ' HOH . . . 68.89 25.61 6.06 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.615 -0.721 . . . . 61.42 109.11 -179.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' HOH . . . -176.57 45.7 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.357 -0.838 . . . . 65.84 110.265 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 68.8 Cg_endo -68.1 -37.74 14.04 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 120.71 0.94 . . . . 68.19 111.674 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.633 ' HG3' HG23 ' A' ' 32' ' ' VAL . 23.5 pttm -49.46 -33.58 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 72.8 110.819 179.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' HG3' ' A' ' 31' ' ' LYS . 58.9 t -104.53 127.07 29.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 113.282 0.845 . . . . 67.94 113.282 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -82.18 148.64 15.05 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.408 2.072 . . . . 62.36 109.037 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.11 -31.76 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.079 0.466 . . . . 51.71 111.538 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -153.74 142.57 21.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.482 -0.562 . . . . 46.25 109.482 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -144.72 139.16 27.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.781 -1.563 . . . . 33.49 106.781 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.64 -158.64 31.69 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 119.311 -1.423 . . . . 21.77 114.387 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . 0.532 ' SG ' ' HD2' ' A' ' 12' ' ' LYS . 71.6 m -91.99 154.27 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.649 0.379 . . . . 25.81 111.242 179.783 -58.581 -100.712 -82.812 102.883 2.028 103.777 -48.118 -54.114 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.2 tt -161.24 158.16 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.443 -0.503 . . . . 28.64 111.181 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.34 -43.74 14.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.829 0.677 . . . . 31.56 112.829 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.26 149.05 32.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.226 -0.657 . . . . 31.55 109.226 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -79.0 110.66 15.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.524 -0.917 . . . . 27.55 108.524 179.893 -164.456 65.893 88.01 103.229 2.027 104.623 115.573 -51.373 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -56.05 144.16 80.56 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 121.813 1.675 . . . . 28.32 112.578 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.53 134.81 45.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 41.76 111.324 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -77.54 158.38 29.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 29.27 110.149 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.4 p -136.5 -168.23 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.452 -1.314 . . . . 31.76 107.452 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . 0.768 ' O ' HG21 ' A' ' 27' ' ' VAL . 31.3 mt -72.59 -19.64 61.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.034 0.383 . . . . 34.88 112.034 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.7 mt -110.49 -25.92 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.966 1.469 . . . . 35.8 114.966 -177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' SD ' ' A' ' 26' ' ' MET . 39.9 t -127.24 132.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 31.54 111.524 -179.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -118.5 140.47 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.981 0.42 . . . . 34.71 110.22 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 98.6 m-85 -124.4 139.39 53.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 25.87 110.358 179.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.93 127.62 66.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 105.255 -2.128 . . . . 21.24 105.255 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -128.27 150.07 50.21 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.079 -0.648 . . . . 22.48 112.454 -177.827 -51.373 115.573 88.01 104.623 2.027 103.229 65.893 -164.456 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 p -144.16 167.05 23.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.476 -1.305 . . . . 19.16 107.476 179.002 49.768 95.751 92.774 100.361 2.028 103.337 87.155 60.778 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -127.28 31.34 5.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 120.376 3.473 . . . . 28.43 120.376 -175.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.1 p -128.84 156.63 43.33 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 107.921 -1.14 . . . . 21.04 107.921 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -50.46 130.53 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 116.137 1.903 . . . . 22.93 116.137 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' HD2' ' OD1' ' A' ' 4' ' ' ASN . 8.2 mtm180 50.08 34.04 7.78 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 116.401 2.001 . . . . 31.18 116.401 177.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.66 -12.44 57.63 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.936 1.087 . . . . 18.31 113.936 -179.014 60.778 87.155 92.774 103.337 2.028 100.361 95.751 49.768 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 115.09 1.515 . . . . 29.95 115.09 -177.548 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . 0.59 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.468 0.175 . . . . 21.6 110.935 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -126.98 133.67 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.007 -1.479 . . . . 38.2 107.007 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.0 m -123.91 155.87 37.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 120.771 -0.372 . . . . 20.07 110.588 179.587 -58.099 -63.533 -86.262 102.343 2.028 103.237 -45.434 -67.329 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' OD1' ' HD2' ' A' ' 58' ' ' ARG . 82.1 m-20 -79.8 154.56 28.39 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.217 -1.401 . . . . 20.44 107.217 177.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -145.55 165.21 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 107.39 -1.337 . . . . 26.21 107.39 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -74.34 -30.26 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 115.877 1.806 . . . . 34.03 115.877 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mt -90.97 148.87 39.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.57 0.582 . . . . 37.08 112.57 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 10' ' ' PHE . 90.8 Cg_exo -61.36 149.89 87.42 Favored 'Trans proline' 0 C--N 1.345 0.388 0 N-CA-C 108.043 -1.56 . . . . 33.46 108.043 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.56 17.01 3.86 Favored 'Cis proline' 0 N--CA 1.465 -0.17 0 N-CA-C 115.292 1.228 . . . . 30.19 115.292 0.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 8' ' ' PRO . 36.9 m-85 72.81 10.7 5.45 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 117.183 2.29 . . . . 33.31 117.183 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -155.77 159.86 39.8 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 105.58 -2.008 . . . . 45.8 105.58 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.781 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.94 140.88 13.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.722 -0.791 . . . . 41.38 111.895 178.65 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -79.69 124.27 28.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.989 -1.485 . . . . 29.22 106.989 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.63 140.01 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.445 -0.798 . . . . 26.15 112.215 -178.959 -54.114 -48.118 -82.812 103.777 2.028 102.883 -100.712 -58.581 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.08 164.29 26.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.675 -1.972 . . . . 31.92 105.675 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.81 138.27 58.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.629 -1.249 . . . . 36.11 107.629 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.46 -34.35 5.44 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 109.759 -1.336 . . . . 39.58 109.759 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -98.12 95.47 7.45 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.579 -0.526 . . . . 39.9 109.579 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.23 28.03 9.03 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.949 1.092 . . . . 31.97 113.949 -179.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -140.88 148.61 40.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 27.91 109.624 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.3 m -108.63 150.22 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 101.982 -3.34 . . . . 19.19 101.982 175.581 -67.329 -45.434 -86.262 103.237 2.028 102.343 -63.533 -58.099 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.86 165.69 28.15 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.574 -0.85 . . . . 29.24 111.722 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' NZ ' ' CZ ' ' A' ' 25' ' ' PHE . 1.8 mtpm? -137.39 136.98 38.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 102.819 -3.03 . . . . 36.2 102.819 178.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 33.5 ttm -116.57 131.83 56.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 40.42 110.811 179.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CZ ' ' NZ ' ' A' ' 23' ' ' LYS . 60.2 m-85 -118.89 150.88 39.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.065 -0.516 . . . . 39.36 110.851 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . 0.429 ' SD ' HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -115.01 130.32 56.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 105.376 -2.083 . . . . 54.39 105.376 178.361 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG21 ' O ' ' A' ' 47' ' ' LEU . 88.0 t -51.35 149.18 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.552 0.575 . . . . 52.9 112.552 -179.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.59 ' C ' ' O ' ' A' ' 68' ' ' HOH . . . 68.89 25.61 6.06 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.615 -0.721 . . . . 61.42 109.11 -179.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' HOH . . . -176.57 45.7 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.357 -0.838 . . . . 65.84 110.265 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 68.8 Cg_endo -68.1 -37.74 14.04 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 120.71 0.94 . . . . 68.19 111.674 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.633 ' HG3' HG23 ' A' ' 32' ' ' VAL . 23.5 pttm -49.46 -33.58 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 72.8 110.819 179.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' HG3' ' A' ' 31' ' ' LYS . 58.9 t -104.53 127.07 29.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 113.282 0.845 . . . . 67.94 113.282 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -82.18 148.64 15.05 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.408 2.072 . . . . 62.36 109.037 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.11 -31.76 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.079 0.466 . . . . 51.71 111.538 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -153.74 142.57 21.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.482 -0.562 . . . . 46.25 109.482 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -144.72 139.16 27.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.781 -1.563 . . . . 33.49 106.781 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.64 -158.64 31.69 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 119.311 -1.423 . . . . 21.77 114.387 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.532 ' SG ' ' HD2' ' A' ' 12' ' ' LYS . 71.6 m -91.99 154.27 18.91 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.649 0.379 . . . . 25.81 111.242 179.783 -58.581 -100.712 -82.812 102.883 2.028 103.777 -48.118 -54.114 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.2 tt -161.24 158.16 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.443 -0.503 . . . . 28.64 111.181 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.34 -43.74 14.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.829 0.677 . . . . 31.56 112.829 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.26 149.05 32.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.226 -0.657 . . . . 31.55 109.226 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -79.0 110.66 15.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.524 -0.917 . . . . 27.55 108.524 179.893 -164.456 65.893 88.01 103.229 2.027 104.623 115.573 -51.373 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -56.05 144.16 80.56 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 121.813 1.675 . . . . 28.32 112.578 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -72.53 134.81 45.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 41.76 111.324 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -77.54 158.38 29.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 29.27 110.149 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.4 p -136.5 -168.23 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.452 -1.314 . . . . 31.76 107.452 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.768 ' O ' HG21 ' A' ' 27' ' ' VAL . 31.3 mt -72.59 -19.64 61.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.034 0.383 . . . . 34.88 112.034 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.7 mt -110.49 -25.92 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.966 1.469 . . . . 35.8 114.966 -177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' SD ' ' A' ' 26' ' ' MET . 39.9 t -127.24 132.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 31.54 111.524 -179.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -118.5 140.47 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.981 0.42 . . . . 34.71 110.22 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 98.6 m-85 -124.4 139.39 53.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 25.87 110.358 179.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.93 127.62 66.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 105.255 -2.128 . . . . 21.24 105.255 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -128.27 150.07 50.21 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.079 -0.648 . . . . 22.48 112.454 -177.827 -51.373 115.573 88.01 104.623 2.027 103.229 65.893 -164.456 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 p -144.16 167.05 23.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.476 -1.305 . . . . 19.16 107.476 179.002 49.768 95.751 92.774 100.361 2.028 103.337 87.155 60.778 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.28 31.34 5.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 120.376 3.473 . . . . 28.43 120.376 -175.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.1 p -128.84 156.63 43.33 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 107.921 -1.14 . . . . 21.04 107.921 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -50.46 130.53 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 116.137 1.903 . . . . 22.93 116.137 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' HD2' ' OD1' ' A' ' 4' ' ' ASN . 8.2 mtm180 50.08 34.04 7.78 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 116.401 2.001 . . . . 31.18 116.401 177.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.66 -12.44 57.63 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.936 1.087 . . . . 18.31 113.936 -179.014 60.778 87.155 92.774 103.337 2.028 100.361 95.751 49.768 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 115.09 1.515 . . . . 29.95 115.09 -177.548 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . 0.59 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_