data_6e6n_residue ############################ # Computer software used # ############################ 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 6e6n _Structure_validation_residue.Date_analyzed 2019-08-02 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' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 106.567 -1.642 . . . . 35.09 106.567 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -62.85 -36.26 82.66 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.552 0.532 . . . . 45.06 111.595 -177.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.9 t -71.33 -45.8 62.11 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.507 -0.746 . . . . 15.96 111.691 -179.946 -173.498 67.693 84.004 105.174 2.025 104.084 -96.217 -55.416 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.5 85.49 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.881 -0.512 . . . . 17.55 111.204 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.79 -44.0 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 119.691 -0.804 . . . . 17.69 110.915 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.71 91.94 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.638 0.732 . . . . 15.68 111.936 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.9 96.45 Favored 'General case' 0 C--O 1.263 1.776 0 CA-C-O 118.593 -0.718 . . . . 17.08 110.504 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.093 -0.706 . . . . 25.12 109.093 -170.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -76.62 0.86 18.66 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 115.136 -0.938 . . . . 40.88 113.051 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.5 m 57.73 46.89 16.51 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-O 122.939 1.352 . . . . 26.24 113.392 -179.635 -68.146 -63.419 -75.297 102.326 2.04 103.181 -88.09 -58.617 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 t -59.8 173.54 0.57 Allowed 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.017 -1.447 . . . . 18.94 109.947 167.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -97.86 -174.16 2.81 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 122.369 1.08 . . . . 23.3 109.25 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -68.0 -41.14 82.71 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.15 -1.594 . . . . 26.68 113.392 -171.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.64 -33.86 74.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.666 0.387 . . . . 40.48 111.878 170.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -40.95 94.37 Favored Glycine 0 N--CA 1.414 -2.776 0 C-N-CA 120.049 -1.072 . . . . 19.48 113.138 176.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.3 -47.1 87.47 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.548 -0.861 . . . . 16.64 111.408 173.281 -72.86 -66.347 -76.37 102.165 2.089 104.437 -82.447 -176.808 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.19 -45.54 83.67 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 119.041 -1.064 . . . . 35.34 113.681 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.6 69.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.063 -0.517 . . . . 21.29 110.351 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.06 -22.67 52.55 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 119.961 -0.696 . . . . 16.77 110.967 -173.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.8 m -108.24 -11.49 15.23 Favored 'General case' 0 C--O 1.253 1.287 0 O-C-N 121.259 -0.901 . . . . 17.82 113.417 -170.699 -55.416 -96.217 84.004 104.084 2.025 105.174 67.693 -173.498 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.83 139.22 42.41 Favored Pre-proline 0 N--CA 1.474 0.764 0 N-CA-C 107.71 -1.218 . . . . 22.22 107.71 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -103.59 25.38 12.09 Favored 'Cis proline' 0 N--CA 1.443 -1.455 0 CA-C-N 120.023 1.044 . . . . 24.28 113.076 10.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -98.53 107.57 43.13 Favored Pre-proline 0 N--CA 1.43 -1.459 0 N-CA-C 113.355 0.872 . . . . 30.98 113.355 -172.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.24 -29.74 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 116.393 -1.938 . . . . 22.43 112.488 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.27 -49.07 75.51 Favored 'General case' 0 C--O 1.269 2.089 0 CA-C-O 122.812 1.292 . . . . 28.1 112.947 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.28 90.49 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.397 -1.439 . . . . 17.44 113.399 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -58.93 -46.72 87.3 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 119.5 -0.88 . . . . 16.61 110.631 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.03 -25.37 61.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 113.826 -1.534 . . . . 16.26 109.575 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.77 99.48 Favored Glycine 0 N--CA 1.498 2.783 0 C-N-CA 121.166 -0.54 . . . . 17.93 113.139 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -64.1 -44.95 90.74 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 119.593 -0.843 . . . . 16.12 112.009 179.286 -176.808 -82.447 -76.37 104.437 2.089 102.165 -66.347 -72.86 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.26 -45.72 92.04 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.167 0.803 . . . . 19.62 113.167 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mmm -55.76 -47.03 77.71 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-O 122.048 0.928 . . . . 29.47 108.69 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.69 -52.22 66.44 Favored 'General case' 0 CA--C 1.493 -1.236 0 O-C-N 121.675 -0.64 . . . . 19.5 112.397 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 pt -69.27 -30.2 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 119.238 -0.985 . . . . 23.13 113.068 -175.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -72.59 -30.89 64.78 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 120.026 -0.669 . . . . 28.19 111.339 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -91.72 -35.02 14.39 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 122.112 0.958 . . . . 45.27 112.694 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.42 0.39 14.05 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 116.259 1.948 . . . . 33.98 116.259 -168.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 116.682 -1.628 . . . . 42.13 110.127 -173.432 -58.617 -88.09 -75.297 103.181 2.04 102.326 -63.419 -68.146 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 106.567 -1.642 . . . . 35.09 106.567 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -62.85 -36.26 82.66 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.552 0.532 . . . . 45.06 111.595 -177.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.9 t -71.33 -45.8 62.11 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.507 -0.746 . . . . 15.96 111.691 -179.946 -173.498 67.693 84.004 105.174 2.025 104.084 -96.217 -55.416 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.5 85.49 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.881 -0.512 . . . . 17.55 111.204 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.79 -44.0 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 119.691 -0.804 . . . . 17.69 110.915 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.71 91.94 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.638 0.732 . . . . 15.68 111.936 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.9 96.45 Favored 'General case' 0 C--O 1.263 1.776 0 CA-C-O 118.593 -0.718 . . . . 17.08 110.504 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.093 -0.706 . . . . 25.12 109.093 -170.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -76.62 0.86 18.66 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 115.136 -0.938 . . . . 40.88 113.051 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.5 m 57.73 46.89 16.51 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-O 122.939 1.352 . . . . 26.24 113.392 -179.635 -68.146 -63.419 -75.297 102.326 2.04 103.181 -88.09 -58.617 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 t -59.8 173.54 0.57 Allowed 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.017 -1.447 . . . . 18.94 109.947 167.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -97.86 -174.16 2.81 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 122.369 1.08 . . . . 23.3 109.25 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -68.0 -41.14 82.71 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.15 -1.594 . . . . 26.68 113.392 -171.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.64 -33.86 74.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.666 0.387 . . . . 40.48 111.878 170.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -40.95 94.37 Favored Glycine 0 N--CA 1.414 -2.776 0 C-N-CA 120.049 -1.072 . . . . 19.48 113.138 176.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.3 -47.1 87.47 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.548 -0.861 . . . . 16.64 111.408 173.281 -72.86 -66.347 -76.37 102.165 2.089 104.437 -82.447 -176.808 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.19 -45.54 83.67 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 119.041 -1.064 . . . . 35.34 113.681 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.6 69.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.063 -0.517 . . . . 21.29 110.351 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.06 -22.67 52.55 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 119.961 -0.696 . . . . 16.77 110.967 -173.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.8 m -108.24 -11.49 15.23 Favored 'General case' 0 C--O 1.253 1.287 0 O-C-N 121.259 -0.901 . . . . 17.82 113.417 -170.699 -55.416 -96.217 84.004 104.084 2.025 105.174 67.693 -173.498 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.83 139.22 42.41 Favored Pre-proline 0 N--CA 1.474 0.764 0 N-CA-C 107.71 -1.218 . . . . 22.22 107.71 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -103.59 25.38 12.09 Favored 'Cis proline' 0 N--CA 1.443 -1.455 0 CA-C-N 120.023 1.044 . . . . 24.28 113.076 10.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -98.53 107.57 43.13 Favored Pre-proline 0 N--CA 1.43 -1.459 0 N-CA-C 113.355 0.872 . . . . 30.98 113.355 -172.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.24 -29.74 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 116.393 -1.938 . . . . 22.43 112.488 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.27 -49.07 75.51 Favored 'General case' 0 C--O 1.269 2.089 0 CA-C-O 122.812 1.292 . . . . 28.1 112.947 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.28 90.49 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.397 -1.439 . . . . 17.44 113.399 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -58.93 -46.72 87.3 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 119.5 -0.88 . . . . 16.61 110.631 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.03 -25.37 61.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 113.826 -1.534 . . . . 21.25 109.575 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.77 99.48 Favored Glycine 0 N--CA 1.498 2.783 0 C-N-CA 121.166 -0.54 . . . . 17.93 113.139 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -64.1 -44.95 90.74 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 119.593 -0.843 . . . . 16.12 112.009 179.286 -176.808 -82.447 -76.37 104.437 2.089 102.165 -66.347 -72.86 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.26 -45.72 92.04 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.167 0.803 . . . . 19.62 113.167 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mmm -55.76 -47.03 77.71 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-O 122.048 0.928 . . . . 29.47 108.69 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.69 -52.22 66.44 Favored 'General case' 0 CA--C 1.493 -1.236 0 O-C-N 121.675 -0.64 . . . . 19.5 112.397 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 pt -69.27 -30.2 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 119.238 -0.985 . . . . 23.13 113.068 -175.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -72.59 -30.89 64.78 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 120.026 -0.669 . . . . 28.19 111.339 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -91.72 -35.02 14.39 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 122.112 0.958 . . . . 45.27 112.694 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.42 0.39 14.05 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 116.259 1.948 . . . . 33.98 116.259 -168.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 116.682 -1.628 . . . . 42.13 110.127 -173.432 -58.617 -88.09 -75.297 103.181 2.04 102.326 -63.419 -68.146 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 106.567 -1.642 . . . . 35.090000000000003 106.567 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -62.85 -36.26 82.66 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.552 0.532 . . . . 45.060000000000002 111.595 -177.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.9 t -71.33 -45.8 62.11 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.507 -0.746 . . . . 15.960000000000001 111.691 -179.946 -173.498 67.693 84.004 105.174 2.025 104.084 -96.217 -55.416 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.5 85.49 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.881 -0.512 . . . . 17.550000000000001 111.204 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.79 -44.0 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 119.691 -0.804 . . . . 17.690000000000001 110.915 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.71 91.94 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.638 0.732 . . . . 15.68 111.936 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.9 96.45 Favored 'General case' 0 C--O 1.263 1.776 0 CA-C-O 118.593 -0.718 . . . . 17.079999999999998 110.504 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -68.69 -33.61 74.26 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.093 -0.706 . . . . 25.120000000000001 109.093 -170.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -76.62 0.86 18.66 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 115.136 -0.938 . . . . 40.880000000000003 113.051 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.5 m 57.73 46.89 16.51 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-O 122.939 1.352 . . . . 26.239999999999998 113.392 -179.635 -68.146 -63.419 -75.297 102.326 2.04 103.181 -88.09 -58.617 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 t -59.8 173.54 0.57 Allowed 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.017 -1.447 . . . . 18.940000000000001 109.947 167.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -97.86 -174.16 2.81 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 122.369 1.08 . . . . 23.300000000000001 109.25 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -68.0 -41.14 82.71 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.15 -1.594 . . . . 26.68 113.392 -171.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.64 -33.86 74.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.666 0.387 . . . . 40.479999999999997 111.878 170.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -40.95 94.37 Favored Glycine 0 N--CA 1.414 -2.776 0 C-N-CA 120.049 -1.072 . . . . 19.48 113.138 176.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.4 m -60.3 -47.1 87.47 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.548 -0.861 . . . . 16.640000000000001 111.408 173.281 -72.86 -66.347 -76.37 102.165 2.089 104.437 -82.447 -176.808 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.19 -45.54 83.67 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 119.041 -1.064 . . . . 35.340000000000003 113.681 -179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.6 69.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.063 -0.517 . . . . 21.289999999999999 110.351 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.06 -22.67 52.55 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 119.961 -0.696 . . . . 16.77 110.967 -173.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.8 m -108.24 -11.49 15.23 Favored 'General case' 0 C--O 1.253 1.287 0 O-C-N 121.259 -0.901 . . . . 17.82 113.417 -170.699 -55.416 -96.217 84.004 104.084 2.025 105.174 67.693 -173.498 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.83 139.22 42.41 Favored Pre-proline 0 N--CA 1.474 0.764 0 N-CA-C 107.71 -1.218 . . . . 22.219999999999999 107.71 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -103.59 25.38 12.09 Favored 'Cis proline' 0 N--CA 1.443 -1.455 0 CA-C-N 120.023 1.044 . . . . 24.280000000000001 113.076 10.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -98.53 107.57 43.13 Favored Pre-proline 0 N--CA 1.43 -1.459 0 N-CA-C 113.355 0.872 . . . . 30.98 113.355 -172.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.24 -29.74 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 116.393 -1.938 . . . . 22.43 112.488 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.27 -49.07 75.51 Favored 'General case' 0 C--O 1.269 2.089 0 CA-C-O 122.812 1.292 . . . . 28.100000000000001 112.947 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.28 90.49 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.397 -1.439 . . . . 17.440000000000001 113.399 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -58.93 -46.72 87.3 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 119.5 -0.88 . . . . 16.609999999999999 110.631 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -72.03 -25.37 61.78 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 113.826 -1.534 . . . . 21.25 109.575 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.77 99.48 Favored Glycine 0 N--CA 1.498 2.783 0 C-N-CA 121.166 -0.54 . . . . 17.93 113.139 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -64.1 -44.95 90.74 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 119.593 -0.843 . . . . 16.120000000000001 112.009 179.286 -176.808 -82.447 -76.37 104.437 2.089 102.165 -66.347 -72.86 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.26 -45.72 92.04 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.167 0.803 . . . . 19.620000000000001 113.167 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mmm -55.76 -47.03 77.71 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-O 122.048 0.928 . . . . 29.469999999999999 108.69 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.69 -52.22 66.44 Favored 'General case' 0 CA--C 1.493 -1.236 0 O-C-N 121.675 -0.64 . . . . 19.5 112.397 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 pt -69.27 -30.2 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 119.238 -0.985 . . . . 23.129999999999999 113.068 -175.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -72.59 -30.89 64.78 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 120.026 -0.669 . . . . 28.190000000000001 111.339 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -91.72 -35.02 14.39 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 122.112 0.958 . . . . 45.270000000000003 112.694 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.42 0.39 14.05 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 116.259 1.948 . . . . 33.979999999999997 116.259 -168.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 116.682 -1.628 . . . . 42.130000000000003 110.127 -173.432 -58.617 -88.09 -75.297 103.181 2.04 102.326 -63.419 -68.146 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_