data_5nmn_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 5nmn _Structure_validation_residue.Date_analyzed 2018-01-19 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 . . . . . 0.528 HD11 ' N ' ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.265 -1.013 . . . . 90.4 108.265 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.62 -39.21 90.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 119.975 -0.69 . . . . 26.23 112.248 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.33 97.0 Favored Glycine 0 C--O 1.238 0.348 0 C-N-CA 120.46 -0.876 . . . . 16.25 111.734 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.668 -0.313 . . . . 20.8 111.355 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.41 -49.39 77.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.817 0.341 . . . . 31.05 110.392 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -63.53 -41.36 98.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.958 -0.697 . . . . 17.84 111.583 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.26 -46.06 89.52 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.16 0.505 . . . . 17.43 110.746 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -65.5 -32.36 73.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.455 -0.338 . . . . 19.62 110.598 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . 0.679 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 47.3 t -62.05 -41.59 98.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.514 0.673 . . . . 22.34 109.664 174.025 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -44.49 87.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.969 -0.559 . . . . 67.76 110.432 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.16 -37.76 86.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 17.61 111.064 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 9' ' ' SER . 43.0 pttt -64.74 -39.81 94.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.698 -0.228 . . . . 96.43 110.619 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.97 -44.13 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.788 -0.449 . . . . 58.46 109.788 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.42 99.33 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.34 -0.457 . . . . 19.46 112.769 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -41.42 98.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.233 -0.569 . . . . 134.12 110.272 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -67.03 -40.57 87.24 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.146 -0.622 . . . . 106.11 109.963 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.04 -50.27 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.433 . . . . 31.18 110.996 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -60.37 -43.19 96.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.266 -0.424 . . . . 108.28 110.963 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -65.97 -40.83 91.61 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.793 -0.363 . . . . 117.25 111.322 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.33 -44.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.821 -0.172 . . . . 23.1 110.854 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.26 -40.93 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.433 -0.507 . . . . 26.46 110.118 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.55 -42.49 99.57 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.677 -0.409 . . . . 35.92 110.818 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . 1.067 ' NH2' ' O ' ' A' ' 201' ' ' HOH . 34.0 tpt85 -61.44 -42.49 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 91.65 110.277 179.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.7 -45.35 99.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 22.65 111.353 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 61.43 110.319 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.11 -45.83 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 26.43 110.819 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -56.94 -50.25 73.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 17.62 110.908 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.18 -43.15 99.03 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.66 -0.416 . . . . 19.52 110.711 -176.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.613 0.721 . . . . 33.61 110.788 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.97 -13.9 62.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.641 -0.709 . . . . 19.09 112.873 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -76.3 -21.82 55.77 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.058 1.133 . . . . 17.12 114.058 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.1 119.3 74.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 C-N-CA 120.48 -0.488 . . . . 19.76 109.837 -171.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.49 159.13 41.83 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 O-C-N 122.408 0.688 . . . . 27.36 113.012 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.239 -0.891 . . . . 67.73 110.45 -169.082 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 1.067 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . 0.531 HD12 ' H1 ' ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.265 -1.013 . . . . 75.340000000000003 108.265 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.62 -39.21 90.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 119.975 -0.69 . . . . 21.859999999999999 112.248 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.33 97.0 Favored Glycine 0 C--O 1.238 0.348 0 C-N-CA 120.46 -0.876 . . . . 13.539999999999999 111.734 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.668 -0.313 . . . . 20.800000000000001 111.355 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.41 -49.39 77.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.817 0.341 . . . . 25.879999999999999 110.392 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -63.53 -41.36 98.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.958 -0.697 . . . . 14.859999999999999 111.583 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.26 -46.06 89.52 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.16 0.505 . . . . 14.529999999999999 110.746 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -65.5 -32.36 73.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.455 -0.338 . . . . 16.350000000000001 110.598 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 0.696 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 47.3 t -62.05 -41.59 98.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.514 0.673 . . . . 24.0 109.664 174.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -44.49 87.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.969 -0.559 . . . . 56.469999999999999 110.432 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.16 -37.76 86.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 16.890000000000001 111.064 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 9' ' ' SER . 43.0 pttt -64.74 -39.81 94.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.698 -0.228 . . . . 80.359999999999999 110.619 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.97 -44.13 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.788 -0.449 . . . . 48.719999999999999 109.788 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.42 99.33 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.34 -0.457 . . . . 16.219999999999999 112.769 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -41.42 98.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.233 -0.569 . . . . 111.77 110.272 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -67.03 -40.57 87.24 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.146 -0.622 . . . . 106.11 109.963 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.04 -50.27 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.433 . . . . 25.98 110.996 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -60.37 -43.19 96.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.266 -0.424 . . . . 90.239999999999995 110.963 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -65.97 -40.83 91.61 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.793 -0.363 . . . . 97.709999999999994 111.322 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.33 -44.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.821 -0.172 . . . . 19.25 110.854 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.26 -40.93 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.433 -0.507 . . . . 22.050000000000001 110.118 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.55 -42.49 99.57 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.677 -0.409 . . . . 35.920000000000002 110.818 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . 1.067 ' NH2' ' O ' ' A' ' 201' ' ' HOH . 34.0 tpt85 -61.44 -42.49 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 76.379999999999995 110.277 179.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.7 -45.35 99.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 18.870000000000001 111.353 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 51.189999999999998 110.319 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.11 -45.83 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 26.43 110.819 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -56.94 -50.25 73.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 14.68 110.908 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.18 -43.15 99.03 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.66 -0.416 . . . . 16.27 110.711 -176.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.613 0.721 . . . . 40.700000000000003 110.788 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.97 -13.9 62.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.641 -0.709 . . . . 16.710000000000001 112.873 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -76.3 -21.82 55.77 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.058 1.133 . . . . 15.279999999999999 114.058 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.1 119.3 74.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 C-N-CA 120.48 -0.488 . . . . 16.460000000000001 109.837 -171.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.49 159.13 41.83 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 O-C-N 122.408 0.688 . . . . 22.800000000000001 113.012 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.239 -0.891 . . . . 57.390000000000001 110.45 -169.082 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 1.067 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.531 HD12 ' H1 ' ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.265 -1.013 . . . . 75.340000000000003 108.265 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.62 -39.21 90.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 119.975 -0.69 . . . . 21.859999999999999 112.248 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.33 97.0 Favored Glycine 0 C--O 1.238 0.348 0 C-N-CA 120.46 -0.876 . . . . 13.539999999999999 111.734 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.29 -37.63 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.668 -0.313 . . . . 20.800000000000001 111.355 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.41 -49.39 77.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.817 0.341 . . . . 25.879999999999999 110.392 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -63.53 -41.36 98.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.958 -0.697 . . . . 14.859999999999999 111.583 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.26 -46.06 89.52 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.16 0.505 . . . . 14.529999999999999 110.746 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -65.5 -32.36 73.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.455 -0.338 . . . . 16.350000000000001 110.598 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 0.696 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 47.3 t -62.05 -41.59 98.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.514 0.673 . . . . 24.0 109.664 174.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -44.49 87.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.969 -0.559 . . . . 56.469999999999999 110.432 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.16 -37.76 86.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 16.890000000000001 111.064 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 9' ' ' SER . 43.0 pttt -64.74 -39.81 94.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.698 -0.228 . . . . 80.359999999999999 110.619 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.97 -44.13 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.788 -0.449 . . . . 48.719999999999999 109.788 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.42 99.33 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.34 -0.457 . . . . 16.219999999999999 112.769 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -41.42 98.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.233 -0.569 . . . . 111.77 110.272 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -67.03 -40.57 87.24 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.146 -0.622 . . . . 106.11 109.963 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.04 -50.27 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.433 . . . . 25.98 110.996 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -60.37 -43.19 96.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.266 -0.424 . . . . 90.239999999999995 110.963 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -65.97 -40.83 91.61 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.793 -0.363 . . . . 97.709999999999994 111.322 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.33 -44.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.821 -0.172 . . . . 19.25 110.854 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.26 -40.93 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.433 -0.507 . . . . 22.050000000000001 110.118 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.55 -42.49 99.57 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.677 -0.409 . . . . 35.920000000000002 110.818 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . 1.067 ' NH2' ' O ' ' A' ' 201' ' ' HOH . 34.0 tpt85 -61.44 -42.49 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 76.379999999999995 110.277 179.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.7 -45.35 99.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 18.870000000000001 111.353 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 51.189999999999998 110.319 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.11 -45.83 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 26.43 110.819 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -56.94 -50.25 73.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 14.68 110.908 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.18 -43.15 99.03 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.66 -0.416 . . . . 16.27 110.711 -176.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -64.31 -36.0 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.613 0.721 . . . . 40.700000000000003 110.788 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.97 -13.9 62.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.641 -0.709 . . . . 16.710000000000001 112.873 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -76.3 -21.82 55.77 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.058 1.133 . . . . 15.279999999999999 114.058 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.1 119.3 74.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 C-N-CA 120.48 -0.488 . . . . 16.460000000000001 109.837 -171.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.49 159.13 41.83 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 O-C-N 122.408 0.688 . . . . 22.800000000000001 113.012 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.239 -0.891 . . . . 57.390000000000001 110.45 -169.082 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 1.067 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_