data_1ifd_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 1ifd _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.533 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -51.07 -45.96 61.57 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.954 1.409 . . . . 10.0 113.075 -174.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.89 84.64 Favored Glycine 0 C--O 1.259 1.684 0 O-C-N 124.951 1.407 . . . . 10.0 111.968 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.18 -14.7 58.25 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 -177.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -55.18 -57.8 18.19 Favored Pre-proline 0 C--O 1.258 1.51 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 171.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -58.51 -31.75 94.99 Favored 'Trans proline' 0 C--O 1.257 1.471 0 C-N-CA 122.701 2.267 . . . . 10.0 111.383 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.6 67.41 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.023 1.452 . . . . 10.0 112.648 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.42 -42.55 95.99 Favored 'General case' 0 C--O 1.258 1.506 0 O-C-N 124.675 1.234 . . . . 10.0 110.436 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.02 87.42 Favored 'General case' 0 C--O 1.258 1.54 0 O-C-N 125.028 1.455 . . . . 10.0 111.224 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.07 93.45 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 125.233 1.583 . . . . 10.0 110.321 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.36 -31.61 71.11 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 125.503 1.752 . . . . 10.0 111.891 177.723 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.99 -43.31 88.16 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.015 1.447 . . . . 10.0 111.08 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.4 m -65.17 -39.21 92.62 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 125.478 1.736 . . . . 10.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.52 -35.88 81.33 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 125.582 1.802 . . . . 10.0 111.233 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.48 -38.58 74.41 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 125.043 1.465 . . . . 10.0 111.512 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.26 87.55 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 124.659 1.224 . . . . 10.0 111.202 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -64.35 -38.7 91.97 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 124.79 1.306 . . . . 10.0 110.772 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.0 73.88 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 125.731 1.894 . . . . 10.0 110.504 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -68.94 -33.61 74.01 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 124.867 1.355 . . . . 10.0 111.832 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.7 -48.15 72.99 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.547 1.154 . . . . 10.0 111.791 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -56.65 -44.02 80.89 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 125.27 1.606 . . . . 10.0 110.415 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -32.38 57.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 CA-C-N 113.16 -1.837 . . . . 10.0 112.558 -177.512 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.88 93.09 Favored Glycine 0 C--O 1.258 1.61 0 O-C-N 124.264 0.977 . . . . 10.0 111.041 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.21 -31.52 72.68 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 113.824 -1.188 . . . . 10.0 110.38 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.63 71.7 Favored 'General case' 0 C--O 1.256 1.423 0 O-C-N 124.608 1.193 . . . . 10.0 111.692 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -57.8 -39.35 77.34 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 125.299 1.625 . . . . 10.0 110.739 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.63 79.36 Favored 'General case' 0 C--O 1.258 1.515 0 O-C-N 124.72 1.262 . . . . 10.0 113.619 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.19 -42.15 99.01 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.494 1.121 . . . . 10.0 110.147 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 t -70.69 -23.1 23.81 Favored 'Isoleucine or valine' 0 C--O 1.255 1.369 0 CA-C-N 112.378 -2.192 . . . . 10.0 111.782 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.53 -38.47 82.71 Favored 'Isoleucine or valine' 0 C--O 1.259 1.574 0 O-C-N 123.718 0.637 . . . . 10.0 111.203 172.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.96 -42.84 77.07 Favored 'Isoleucine or valine' 0 C--O 1.259 1.555 0 O-C-N 124.707 1.255 . . . . 10.0 112.027 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -66.7 -42.39 89.48 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 125.149 1.531 . . . . 10.0 111.757 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -70.7 -30.08 40.66 Favored 'Isoleucine or valine' 0 C--O 1.256 1.407 0 O-C-N 124.774 1.296 . . . . 10.0 111.265 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.0 96.55 Favored Glycine 0 C--O 1.259 1.673 0 O-C-N 124.683 1.239 . . . . 10.0 110.815 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.52 92.74 Favored 'General case' 0 C--O 1.256 1.427 0 O-C-N 125.797 1.528 . . . . 10.0 110.785 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 m -70.43 -35.0 73.12 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 124.263 0.977 . . . . 10.0 112.48 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.33 -43.97 84.01 Favored 'Isoleucine or valine' 0 C--O 1.257 1.475 0 O-C-N 124.11 0.881 . . . . 10.0 111.906 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.53 -50.47 54.76 Favored Glycine 0 C--O 1.256 1.478 0 O-C-N 124.956 1.41 . . . . 10.0 112.547 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.64 -37.62 79.01 Favored 'Isoleucine or valine' 0 C--O 1.258 1.505 0 O-C-N 124.485 0.756 . . . . 10.0 112.045 -176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.83 -25.56 65.62 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 119.312 -0.955 . . . . 10.0 110.82 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.72 -36.8 78.89 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.732 1.895 . . . . 10.0 111.9 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -58.9 -43.27 91.0 Favored 'General case' 0 C--O 1.258 1.552 0 O-C-N 124.462 1.101 . . . . 10.0 110.18 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.32 -35.77 81.48 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 125.168 1.543 . . . . 10.0 111.14 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.39 -45.37 93.46 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 125.654 1.846 . . . . 10.0 110.581 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.78 -46.97 81.16 Favored 'General case' 0 C--O 1.259 1.57 0 O-C-N 125.392 1.683 . . . . 10.0 111.292 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -60.0 -43.86 94.91 Favored 'General case' 0 C--O 1.258 1.506 0 O-C-N 126.059 2.099 . . . . 10.0 111.712 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.7 m -68.83 -35.31 76.81 Favored 'General case' 0 C--O 1.257 1.492 0 O-C-N 124.762 1.289 . . . . 10.0 111.908 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -68.61 -36.27 78.43 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 124.725 1.266 . . . . 10.0 110.622 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.67 72.74 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 125.544 1.777 . . . . 10.0 110.616 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.258 1.519 0 O-C-N 125.413 1.696 . . . . 10.0 113.578 -179.69 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.533 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -51.07 -45.96 61.57 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.954 1.409 . . . . 10.0 113.075 -174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.89 84.64 Favored Glycine 0 C--O 1.259 1.684 0 O-C-N 124.951 1.407 . . . . 10.0 111.968 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.18 -14.7 58.25 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 -177.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -55.18 -57.8 18.19 Favored Pre-proline 0 C--O 1.258 1.51 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 171.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -58.51 -31.75 94.99 Favored 'Trans proline' 0 C--O 1.257 1.471 0 C-N-CA 122.701 2.267 . . . . 10.0 111.383 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.6 67.41 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.023 1.452 . . . . 10.0 112.648 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.42 -42.55 95.99 Favored 'General case' 0 C--O 1.258 1.506 0 O-C-N 124.675 1.234 . . . . 10.0 110.436 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.02 87.42 Favored 'General case' 0 C--O 1.258 1.54 0 O-C-N 125.028 1.455 . . . . 10.0 111.224 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.07 93.45 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 125.233 1.583 . . . . 10.0 110.321 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.36 -31.61 71.11 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 125.503 1.752 . . . . 10.0 111.891 177.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.99 -43.31 88.16 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.015 1.447 . . . . 10.0 111.08 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.4 m -65.17 -39.21 92.62 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 125.478 1.736 . . . . 10.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.52 -35.88 81.33 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 125.582 1.802 . . . . 10.0 111.233 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.48 -38.58 74.41 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 125.043 1.465 . . . . 10.0 111.512 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.26 87.55 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 124.659 1.224 . . . . 10.0 111.202 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . 0.431 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 48.7 m -64.35 -38.7 91.97 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 124.79 1.306 . . . . 10.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.0 73.88 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 125.731 1.894 . . . . 10.0 110.504 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -68.94 -33.61 74.01 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 124.867 1.355 . . . . 10.0 111.832 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 40.5 mt-10 -65.7 -48.15 72.99 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.547 1.154 . . . . 10.0 111.791 177.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -56.65 -44.02 80.89 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 125.27 1.606 . . . . 10.0 110.415 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -32.38 57.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 CA-C-N 113.16 -1.837 . . . . 10.0 112.558 -177.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.88 93.09 Favored Glycine 0 C--O 1.258 1.61 0 O-C-N 124.264 0.977 . . . . 10.0 111.041 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.21 -31.52 72.68 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 113.824 -1.188 . . . . 10.0 110.38 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.7 -46.63 71.7 Favored 'General case' 0 C--O 1.256 1.423 0 O-C-N 124.608 1.193 . . . . 10.0 111.692 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.6 m0 -57.8 -39.35 77.34 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 125.299 1.625 . . . . 10.0 110.739 178.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' ' HB ' ' A' ' 30' ' ' VAL . . . -67.77 -43.63 79.36 Favored 'General case' 0 C--O 1.258 1.515 0 O-C-N 124.72 1.262 . . . . 10.0 113.619 179.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.19 -42.15 99.01 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.494 1.121 . . . . 10.0 110.147 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 25' ' ' ALA . 8.9 t -70.69 -23.1 23.81 Favored 'Isoleucine or valine' 0 C--O 1.255 1.369 0 CA-C-N 112.378 -2.192 . . . . 10.0 111.782 175.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 4.2 t -64.53 -38.47 82.71 Favored 'Isoleucine or valine' 0 C--O 1.259 1.574 0 O-C-N 123.718 0.637 . . . . 10.0 111.203 172.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.96 -42.84 77.07 Favored 'Isoleucine or valine' 0 C--O 1.259 1.555 0 O-C-N 124.707 1.255 . . . . 10.0 112.027 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -66.7 -42.39 89.48 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 125.149 1.531 . . . . 10.0 111.757 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -70.7 -30.08 40.66 Favored 'Isoleucine or valine' 0 C--O 1.256 1.407 0 O-C-N 124.774 1.296 . . . . 10.0 111.265 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.0 96.55 Favored Glycine 0 C--O 1.259 1.673 0 O-C-N 124.683 1.239 . . . . 10.0 110.815 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.52 92.74 Favored 'General case' 0 C--O 1.256 1.427 0 O-C-N 125.797 1.528 . . . . 10.0 110.785 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 m -70.43 -35.0 73.12 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 124.263 0.977 . . . . 10.0 112.48 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.33 -43.97 84.01 Favored 'Isoleucine or valine' 0 C--O 1.257 1.475 0 O-C-N 124.11 0.881 . . . . 10.0 111.906 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.53 -50.47 54.76 Favored Glycine 0 C--O 1.256 1.478 0 O-C-N 124.956 1.41 . . . . 10.0 112.547 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.64 -37.62 79.01 Favored 'Isoleucine or valine' 0 C--O 1.258 1.505 0 O-C-N 124.485 0.756 . . . . 10.0 112.045 -176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.9 mmmt -67.83 -25.56 65.62 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 119.312 -0.955 . . . . 10.0 110.82 175.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.72 -36.8 78.89 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.732 1.895 . . . . 10.0 111.9 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -58.9 -43.27 91.0 Favored 'General case' 0 C--O 1.258 1.552 0 O-C-N 124.462 1.101 . . . . 10.0 110.18 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.32 -35.77 81.48 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 125.168 1.543 . . . . 10.0 111.14 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 74.5 mmtt -62.39 -45.37 93.46 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 125.654 1.846 . . . . 10.0 110.581 177.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.78 -46.97 81.16 Favored 'General case' 0 C--O 1.259 1.57 0 O-C-N 125.392 1.683 . . . . 10.0 111.292 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -60.0 -43.86 94.91 Favored 'General case' 0 C--O 1.258 1.506 0 O-C-N 126.059 2.099 . . . . 10.0 111.712 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.7 m -68.83 -35.31 76.81 Favored 'General case' 0 C--O 1.257 1.492 0 O-C-N 124.762 1.289 . . . . 10.0 111.908 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 51.9 mmtt -68.61 -36.27 78.43 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 124.725 1.266 . . . . 10.0 110.622 -178.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.67 72.74 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 125.544 1.777 . . . . 10.0 110.616 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.258 1.519 0 O-C-N 125.413 1.696 . . . . 10.0 113.578 -179.69 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.533 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -51.07 -45.96 61.57 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.954 1.409 . . . . 10.0 113.075 -174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.89 84.64 Favored Glycine 0 C--O 1.259 1.684 0 O-C-N 124.951 1.407 . . . . 10.0 111.968 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.18 -14.7 58.25 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 -177.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -55.18 -57.8 18.19 Favored Pre-proline 0 C--O 1.258 1.51 0 N-CA-C 115.757 1.762 . . . . 10.0 115.757 171.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -58.51 -31.75 94.99 Favored 'Trans proline' 0 C--O 1.257 1.471 0 C-N-CA 122.701 2.267 . . . . 10.0 111.383 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.6 67.41 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.023 1.452 . . . . 10.0 112.648 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.42 -42.55 95.99 Favored 'General case' 0 C--O 1.258 1.506 0 O-C-N 124.675 1.234 . . . . 10.0 110.436 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.02 87.42 Favored 'General case' 0 C--O 1.258 1.54 0 O-C-N 125.028 1.455 . . . . 10.0 111.224 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.07 93.45 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 125.233 1.583 . . . . 10.0 110.321 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.36 -31.61 71.11 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 125.503 1.752 . . . . 10.0 111.891 177.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.99 -43.31 88.16 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.015 1.447 . . . . 10.0 111.08 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.4 m -65.17 -39.21 92.62 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 125.478 1.736 . . . . 10.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.52 -35.88 81.33 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 125.582 1.802 . . . . 10.0 111.233 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.48 -38.58 74.41 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 125.043 1.465 . . . . 10.0 111.512 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.26 87.55 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 124.659 1.224 . . . . 10.0 111.202 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . 0.431 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 48.7 m -64.35 -38.7 91.97 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 124.79 1.306 . . . . 10.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.0 73.88 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 125.731 1.894 . . . . 10.0 110.504 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -68.94 -33.61 74.01 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 124.867 1.355 . . . . 10.0 111.832 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 40.5 mt-10 -65.7 -48.15 72.99 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.547 1.154 . . . . 10.0 111.791 177.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -56.65 -44.02 80.89 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 125.27 1.606 . . . . 10.0 110.415 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -32.38 57.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 CA-C-N 113.16 -1.837 . . . . 10.0 112.558 -177.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.88 93.09 Favored Glycine 0 C--O 1.258 1.61 0 O-C-N 124.264 0.977 . . . . 10.0 111.041 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.21 -31.52 72.68 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 113.824 -1.188 . . . . 10.0 110.38 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.7 -46.63 71.7 Favored 'General case' 0 C--O 1.256 1.423 0 O-C-N 124.608 1.193 . . . . 10.0 111.692 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.6 m0 -57.8 -39.35 77.34 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 125.299 1.625 . . . . 10.0 110.739 178.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' ' HB ' ' A' ' 30' ' ' VAL . . . -67.77 -43.63 79.36 Favored 'General case' 0 C--O 1.258 1.515 0 O-C-N 124.72 1.262 . . . . 10.0 113.619 179.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.19 -42.15 99.01 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.494 1.121 . . . . 10.0 110.147 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 25' ' ' ALA . 8.9 t -70.69 -23.1 23.81 Favored 'Isoleucine or valine' 0 C--O 1.255 1.369 0 CA-C-N 112.378 -2.192 . . . . 10.0 111.782 175.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 4.2 t -64.53 -38.47 82.71 Favored 'Isoleucine or valine' 0 C--O 1.259 1.574 0 O-C-N 123.718 0.637 . . . . 10.0 111.203 172.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.96 -42.84 77.07 Favored 'Isoleucine or valine' 0 C--O 1.259 1.555 0 O-C-N 124.707 1.255 . . . . 10.0 112.027 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -66.7 -42.39 89.48 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 125.149 1.531 . . . . 10.0 111.757 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -70.7 -30.08 40.66 Favored 'Isoleucine or valine' 0 C--O 1.256 1.407 0 O-C-N 124.774 1.296 . . . . 10.0 111.265 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.0 96.55 Favored Glycine 0 C--O 1.259 1.673 0 O-C-N 124.683 1.239 . . . . 10.0 110.815 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.52 92.74 Favored 'General case' 0 C--O 1.256 1.427 0 O-C-N 125.797 1.528 . . . . 10.0 110.785 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 m -70.43 -35.0 73.12 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 124.263 0.977 . . . . 10.0 112.48 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.1 mt -68.33 -43.97 84.01 Favored 'Isoleucine or valine' 0 C--O 1.257 1.475 0 O-C-N 124.11 0.881 . . . . 10.0 111.906 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.53 -50.47 54.76 Favored Glycine 0 C--O 1.256 1.478 0 O-C-N 124.956 1.41 . . . . 10.0 112.547 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.64 -37.62 79.01 Favored 'Isoleucine or valine' 0 C--O 1.258 1.505 0 O-C-N 124.485 0.756 . . . . 10.0 112.045 -176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.9 mmmt -67.83 -25.56 65.62 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 119.312 -0.955 . . . . 10.0 110.82 175.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.72 -36.8 78.89 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.732 1.895 . . . . 10.0 111.9 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -58.9 -43.27 91.0 Favored 'General case' 0 C--O 1.258 1.552 0 O-C-N 124.462 1.101 . . . . 10.0 110.18 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.32 -35.77 81.48 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 125.168 1.543 . . . . 10.0 111.14 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 74.5 mmtt -62.39 -45.37 93.46 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 125.654 1.846 . . . . 10.0 110.581 177.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.78 -46.97 81.16 Favored 'General case' 0 C--O 1.259 1.57 0 O-C-N 125.392 1.683 . . . . 10.0 111.292 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -60.0 -43.86 94.91 Favored 'General case' 0 C--O 1.258 1.506 0 O-C-N 126.059 2.099 . . . . 10.0 111.712 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.7 m -68.83 -35.31 76.81 Favored 'General case' 0 C--O 1.257 1.492 0 O-C-N 124.762 1.289 . . . . 10.0 111.908 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 51.9 mmtt -68.61 -36.27 78.43 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 124.725 1.266 . . . . 10.0 110.622 -178.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.67 72.74 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 125.544 1.777 . . . . 10.0 110.616 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.258 1.519 0 O-C-N 125.413 1.696 . . . . 10.0 113.578 -179.69 . . . . . . . . 0 0 . 1 stop_ save_