data_3m48_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 3m48 _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.631 0.253 . . . . 51.920000000000002 111.044 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.92 -16.59 64.0 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.16 -0.473 . . . . 73.609999999999999 111.647 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.09 -39.88 93.83 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.407 -0.96 . . . . 32.32 108.407 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.98 -41.13 91.31 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.164 -0.471 . . . . 63.289999999999999 111.786 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 32.799999999999997 111.355 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' CE ' ' O ' ' A' ' 52' ' ' HOH . 90.1 mttt -66.4 -42.89 87.19 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 50.960000000000001 110.782 -179.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.16 -40.93 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.143 -0.318 . . . . 23.309999999999999 110.143 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -61.48 -39.8 92.25 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 118.949 -0.548 . . . . 33.969999999999999 112.085 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.96 -37.87 88.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.702 0.683 . . . . 71.510000000000005 111.48 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.62 -36.6 78.87 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.619 -0.432 . . . . 24.399999999999999 110.299 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.9 -44.84 76.03 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.694 -0.802 . . . . 25.289999999999999 111.218 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -65.9 -39.63 90.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.712 0.632 . . . . 32.710000000000001 111.145 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -60.66 -45.83 92.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.212 -0.662 . . . . 74.689999999999998 109.212 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.21 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.007 -0.542 . . . . 25.280000000000001 109.963 174.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -65.58 -44.32 87.04 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.152 -0.476 . . . . 25.449999999999999 110.606 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.92 -41.49 96.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.658 -0.417 . . . . 41.770000000000003 111.339 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.2 -45.44 73.34 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-O 119.827 -0.13 . . . . 29.010000000000002 111.213 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -59.89 -41.04 90.74 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.929 -0.397 . . . . 72.549999999999997 109.929 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.9 -44.33 97.02 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 120.058 -0.657 . . . . 36.079999999999998 111.485 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.02 -47.08 86.35 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.201 -0.6 . . . . 57.75 109.458 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.92 -38.63 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.421 -0.174 . . . . 25.530000000000001 111.119 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.01 97.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.864 -0.153 . . . . 27.059999999999999 110.85 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtm-85 -63.07 -40.11 96.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.051 -0.66 . . . . 34.689999999999998 110.408 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.66 -40.16 88.52 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.876 -0.73 . . . . 25.600000000000001 110.716 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -61.22 -42.06 97.94 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 110.584 -0.154 . . . . 46.039999999999999 110.584 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.832 -0.747 . . . . 73.670000000000002 109.73 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.31 -46.13 88.14 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.258 0.466 . . . . 33.130000000000003 112.258 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.9 m -91.03 14.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 61.710000000000001 111.03 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.41 78.06 0.13 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.294 -0.479 . . . . 93.510000000000005 112.592 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 122.663 0.385 . . . . 108.58 111.477 -177.49 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . 0.401 ' O ' ' CE ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.631 0.253 . . . . 51.920000000000002 111.044 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.92 -16.59 64.0 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.16 -0.473 . . . . 73.609999999999999 111.647 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.09 -39.88 93.83 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.407 -0.96 . . . . 32.32 108.407 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 51' ' ' HOH . 41.9 mt-10 -59.98 -41.13 91.31 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.164 -0.471 . . . . 63.289999999999999 111.786 177.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 32.799999999999997 111.355 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' CE ' ' O ' ' A' ' 52' ' ' HOH . 90.1 mttt -66.4 -42.89 87.19 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 50.960000000000001 110.782 -179.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.16 -40.93 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.143 -0.318 . . . . 23.309999999999999 110.143 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -61.48 -39.8 92.25 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 118.949 -0.548 . . . . 33.969999999999999 112.085 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.96 -37.87 88.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.702 0.683 . . . . 71.510000000000005 111.48 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.62 -36.6 78.87 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.619 -0.432 . . . . 27.73 110.299 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.9 -44.84 76.03 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.694 -0.802 . . . . 25.289999999999999 111.218 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -65.9 -39.63 90.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.712 0.632 . . . . 32.710000000000001 111.145 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -60.66 -45.83 92.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.212 -0.662 . . . . 74.689999999999998 109.212 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -65.21 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.007 -0.542 . . . . 25.280000000000001 109.963 174.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -65.58 -44.32 87.04 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.152 -0.476 . . . . 25.449999999999999 110.606 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.92 -41.49 96.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.658 -0.417 . . . . 41.770000000000003 111.339 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.2 -45.44 73.34 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-O 119.827 -0.13 . . . . 29.010000000000002 111.213 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -59.89 -41.04 90.74 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.929 -0.397 . . . . 72.549999999999997 109.929 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.9 -44.33 97.02 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 120.058 -0.657 . . . . 36.140000000000001 111.485 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.02 -47.08 86.35 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.201 -0.6 . . . . 57.75 109.458 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.92 -38.63 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.421 -0.174 . . . . 25.530000000000001 111.119 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.01 97.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.864 -0.153 . . . . 27.059999999999999 110.85 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtm-85 -63.07 -40.11 96.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.051 -0.66 . . . . 55.859999999999999 110.408 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.66 -40.16 88.52 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.876 -0.73 . . . . 25.600000000000001 110.716 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -61.22 -42.06 97.94 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 110.584 -0.154 . . . . 46.039999999999999 110.584 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.832 -0.747 . . . . 73.670000000000002 109.73 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.31 -46.13 88.14 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.258 0.466 . . . . 33.130000000000003 112.258 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.9 m -91.03 14.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 61.710000000000001 111.03 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.41 78.06 0.13 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.294 -0.479 . . . . 93.510000000000005 112.592 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 122.663 0.385 . . . . 108.58 111.477 -177.49 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . 0.543 ' O ' ' HG3' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . 0.401 ' O ' ' CE ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.631 0.253 . . . . 51.920000000000002 111.044 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -65.92 -16.59 64.0 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.16 -0.473 . . . . 73.609999999999999 111.647 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.6 tp -65.09 -39.88 93.83 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.407 -0.96 . . . . 32.32 108.407 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 51' ' ' HOH . 41.9 mt-10 -59.98 -41.13 91.31 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.164 -0.471 . . . . 63.289999999999999 111.786 177.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 32.799999999999997 111.355 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' CE ' ' O ' ' A' ' 52' ' ' HOH . 90.1 mttt -66.4 -42.89 87.19 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 50.960000000000001 110.782 -179.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.16 -40.93 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 110.143 -0.318 . . . . 23.309999999999999 110.143 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -61.48 -39.8 92.25 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 118.949 -0.548 . . . . 33.969999999999999 112.085 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.96 -37.87 88.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.702 0.683 . . . . 71.510000000000005 111.48 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.62 -36.6 78.87 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.619 -0.432 . . . . 27.73 110.299 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.9 -44.84 76.03 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.694 -0.802 . . . . 25.289999999999999 111.218 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -65.9 -39.63 90.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 123.712 0.632 . . . . 32.710000000000001 111.145 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -60.66 -45.83 92.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.212 -0.662 . . . . 74.689999999999998 109.212 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.21 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.007 -0.542 . . . . 25.280000000000001 109.963 174.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -65.58 -44.32 87.04 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.152 -0.476 . . . . 25.449999999999999 110.606 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.92 -41.49 96.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.658 -0.417 . . . . 41.770000000000003 111.339 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.2 -45.44 73.34 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-O 119.827 -0.13 . . . . 29.010000000000002 111.213 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -59.89 -41.04 90.74 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.929 -0.397 . . . . 72.549999999999997 109.929 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.9 -44.33 97.02 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 120.058 -0.657 . . . . 36.140000000000001 111.485 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.02 -47.08 86.35 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.201 -0.6 . . . . 57.75 109.458 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.92 -38.63 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 122.421 -0.174 . . . . 25.530000000000001 111.119 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.01 97.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.864 -0.153 . . . . 27.059999999999999 110.85 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtm-85 -63.07 -40.11 96.7 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.051 -0.66 . . . . 55.859999999999999 110.408 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.66 -40.16 88.52 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.876 -0.73 . . . . 25.600000000000001 110.716 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -61.22 -42.06 97.94 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 110.584 -0.154 . . . . 46.039999999999999 110.584 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.832 -0.747 . . . . 73.670000000000002 109.73 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.31 -46.13 88.14 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.258 0.466 . . . . 33.130000000000003 112.258 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.9 m -91.03 14.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 61.710000000000001 111.03 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.41 78.06 0.13 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.294 -0.479 . . . . 93.510000000000005 112.592 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 122.663 0.385 . . . . 108.58 111.477 -177.49 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . 0.543 ' O ' ' HG3' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . 0.401 ' O ' ' CE ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_