data_2ho2_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 2ho2 _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 ' 253' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.158 -0.312 . . . . 30.370000000000001 110.158 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -88.45 6.43 37.64 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.759 0.79 . . . . 32.859999999999999 112.322 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' LEU . . . . . . . . . . . . . 98.3 mt -118.52 162.82 28.56 Favored Pre-proline 0 CA--C 1.505 -0.784 0 C-N-CA 124.285 1.034 . . . . 24.41 110.93 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.23 158.34 40.4 Favored 'Trans proline' 0 N--CA 1.405 -3.727 0 CA-C-O 122.095 0.79 . . . . 21.940000000000001 110.263 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -51.14 135.44 25.62 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-O 122.946 1.355 . . . . 22.149999999999999 110.532 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' GLY . . . . . . . . . . . . . . . 93.92 -14.11 66.0 Favored Glycine 0 C--O 1.188 -2.728 0 CA-C-O 117.484 -1.731 . . . . 18.600000000000001 116.342 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.16 143.98 29.72 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.552 1.168 . . . . 18.59 111.18 -174.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' MET . . . . . 0.434 ' CG ' ' O ' ' A' ' 21' ' ' HOH . 13.1 mtt -127.08 139.92 52.65 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 124.759 2.219 . . . . 22.940000000000001 110.867 169.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -84.76 130.28 34.71 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.096 -1.866 . . . . 28.379999999999999 110.821 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.27 129.94 72.97 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 C-N-CA 124.419 1.088 . . . . 17.530000000000001 108.285 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -94.15 130.68 40.26 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.32 1.6 . . . . 30.379999999999999 115.32 172.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -127.82 -170.8 2.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 117.371 -3.33 . . . . 40.170000000000002 105.788 169.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 75.3 p -65.02 -29.78 70.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.271 0.982 . . . . 31.91 112.226 -170.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 266' ' ' SER . . . . . . . . . . . . . 50.4 m -92.78 -18.52 22.8 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 113.131 0.789 . . . . 30.859999999999999 113.131 -174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 267' ' ' GLY . . . . . . . . . . . . . . . 157.15 -163.01 32.17 Favored Glycine 0 N--CA 1.417 -2.617 0 CA-C-O 123.588 1.66 . . . . 28.140000000000001 110.972 174.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 268' ' ' THR . . . . . . . . . . . . . 90.1 m -100.14 133.42 44.57 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 111.648 -2.276 . . . . 24.309999999999999 110.206 -174.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 269' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -126.61 -176.65 3.74 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.806 0.812 . . . . 14.539999999999999 109.049 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 270' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -127.49 139.14 52.99 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 114.69 -1.141 . . . . 22.440000000000001 111.025 -171.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 271' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -123.01 123.58 41.19 Favored 'General case' 0 C--O 1.258 1.513 0 C-N-CA 125.237 1.415 . . . . 17.859999999999999 110.65 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 272' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -94.95 107.5 19.54 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.86 -1.904 . . . . 14.710000000000001 105.86 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.38 -41.69 85.01 Favored Pre-proline 0 C--O 1.201 -1.461 0 N-CA-C 114.239 1.2 . . . . 18.579999999999998 114.239 -174.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 274' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -64.1 -28.4 65.41 Favored 'Trans proline' 0 CA--C 1.5 -1.189 0 C-N-CA 116.144 -2.104 . . . . 16.969999999999999 116.408 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 275' ' ' THR . . . . . . . . . . . . . 73.2 p -107.15 -23.9 12.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.661 1.356 . . . . 16.920000000000002 114.661 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 276' ' ' GLY . . . . . . . . . . . . . . . 84.21 5.72 87.07 Favored Glycine 0 N--CA 1.477 1.419 0 CA-C-O 118.099 -1.39 . . . . 16.289999999999999 112.663 -170.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 277' ' ' THR . . . . . . . . . . . . . 92.5 m -63.46 140.02 58.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 118.054 0.927 . . . . 14.359999999999999 111.043 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 278' ' ' THR . . . . . . . . . . . . . 65.7 p -126.69 148.6 49.84 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 107.587 -1.264 . . . . 13.01 107.587 169.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 279' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -158.64 155.27 27.88 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.596 1.189 . . . . 15.91 109.967 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 280' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -81.54 -30.13 33.25 Favored 'General case' 0 C--O 1.199 -1.587 0 CA-C-N 114.567 -1.197 . . . . 17.960000000000001 114.016 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -73.45 134.44 79.58 Favored Pre-proline 0 C--N 1.314 -0.949 0 O-C-N 121.715 -0.616 . . . . 22.18 110.416 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 282' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -58.88 137.92 82.68 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 CA-C-N 118.777 0.599 . . . . 18.809999999999999 110.747 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 283' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.83 -3.33 11.16 Favored 'Trans proline' 0 N--CA 1.429 -2.308 0 N-CA-C 115.11 1.158 . . . . 21.16 115.11 -174.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 284' ' ' GLY . . . . . . . . . . . . . . . 112.23 -166.4 12.19 Favored Glycine 0 N--CA 1.466 0.662 0 N-CA-C 107.412 -2.275 . . . . 24.82 107.412 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 285' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 114.63 1.345 . . . . 37.479999999999997 114.63 -174.797 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.443 -1.477 0 N-CA-C 111.313 -0.303 . . . . 30.32 111.313 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.74 147.46 92.49 Favored 'Trans proline' 0 CA--C 1.556 1.576 0 C-N-CA 120.285 0.657 . . . . 25.84 112.015 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.19 160.95 47.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 CA-C-O 117.638 -1.068 . . . . 26.460000000000001 113.077 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -56.93 151.61 48.26 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 124.912 3.742 . . . . 26.640000000000001 108.933 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.55 157.32 3.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.914 2.41 . . . . 21.93 108.355 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -62.69 156.77 51.04 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 116.581 -1.813 . . . . 16.77 111.1 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.25 163.0 40.26 Favored 'Trans proline' 0 N--CA 1.437 -1.817 0 O-C-N 123.631 1.332 . . . . 13.06 111.267 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.99 165.75 19.31 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.199 1.266 . . . . 15.140000000000001 111.568 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -60.72 161.04 22.56 Favored 'Trans proline' 0 C--O 1.256 1.4 0 C-N-CA 121.744 1.63 . . . . 21.120000000000001 112.545 172.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-N 111.067 -2.788 . . . . 24.440000000000001 106.779 178.656 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GOL . . . . . 0.858 ' O2 ' ' O ' ' A' ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . 0.434 ' O ' ' CG ' ' A' ' 260' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . 0.858 ' O ' ' O2 ' ' A' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.158 -0.312 . . . . 30.370000000000001 110.158 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -88.45 6.43 37.64 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.759 0.79 . . . . 32.859999999999999 112.322 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 255' ' ' LEU . . . . . . . . . . . . . 98.3 mt -118.52 162.82 28.56 Favored Pre-proline 0 CA--C 1.505 -0.784 0 C-N-CA 124.285 1.034 . . . . 24.41 110.93 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 256' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 284' ' ' GLY . 53.0 Cg_exo -62.23 158.34 40.4 Favored 'Trans proline' 0 N--CA 1.405 -3.727 0 CA-C-O 122.095 0.79 . . . . 21.940000000000001 110.263 178.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -51.14 135.44 25.62 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-O 122.946 1.355 . . . . 22.149999999999999 110.532 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 258' ' ' GLY . . . . . . . . . . . . . . . 93.92 -14.11 66.0 Favored Glycine 0 C--O 1.188 -2.728 0 CA-C-O 117.484 -1.731 . . . . 18.600000000000001 116.342 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 259' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.16 143.98 29.72 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.552 1.168 . . . . 18.59 111.18 -174.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 260' ' ' MET . . . . . 0.434 ' CG ' ' O ' ' A' ' 21' ' ' HOH . 13.1 mtt -127.08 139.92 52.65 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 124.759 2.219 . . . . 22.940000000000001 110.867 169.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -84.76 130.28 34.71 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.096 -1.866 . . . . 28.379999999999999 110.821 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 262' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.27 129.94 72.97 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 C-N-CA 124.419 1.088 . . . . 17.530000000000001 108.285 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -94.15 130.68 40.26 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.32 1.6 . . . . 30.379999999999999 115.32 172.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 264' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -127.82 -170.8 2.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 117.371 -3.33 . . . . 40.170000000000002 105.788 169.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 75.3 p -65.02 -29.78 70.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.271 0.982 . . . . 31.91 112.226 -170.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 266' ' ' SER . . . . . . . . . . . . . 50.4 m -92.78 -18.52 22.8 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 113.131 0.789 . . . . 30.859999999999999 113.131 -174.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 267' ' ' GLY . . . . . . . . . . . . . . . 157.15 -163.01 32.17 Favored Glycine 0 N--CA 1.417 -2.617 0 CA-C-O 123.588 1.66 . . . . 28.140000000000001 110.972 174.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 268' ' ' THR . . . . . . . . . . . . . 90.1 m -100.14 133.42 44.57 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 111.648 -2.276 . . . . 24.309999999999999 110.206 -174.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 269' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -126.61 -176.65 3.74 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.806 0.812 . . . . 14.539999999999999 109.049 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 270' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -127.49 139.14 52.99 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 114.69 -1.141 . . . . 22.440000000000001 111.025 -171.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 271' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -123.01 123.58 41.19 Favored 'General case' 0 C--O 1.258 1.513 0 C-N-CA 125.237 1.415 . . . . 17.859999999999999 110.65 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 272' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -94.95 107.5 19.54 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.86 -1.904 . . . . 14.710000000000001 105.86 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.38 -41.69 85.01 Favored Pre-proline 0 C--O 1.201 -1.461 0 N-CA-C 114.239 1.2 . . . . 18.579999999999998 114.239 -174.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 274' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -64.1 -28.4 65.41 Favored 'Trans proline' 0 CA--C 1.5 -1.189 0 C-N-CA 116.144 -2.104 . . . . 16.969999999999999 116.408 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 275' ' ' THR . . . . . . . . . . . . . 73.2 p -107.15 -23.9 12.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.661 1.356 . . . . 16.920000000000002 114.661 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 276' ' ' GLY . . . . . . . . . . . . . . . 84.21 5.72 87.07 Favored Glycine 0 N--CA 1.477 1.419 0 CA-C-O 118.099 -1.39 . . . . 16.289999999999999 112.663 -170.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 277' ' ' THR . . . . . . . . . . . . . 92.5 m -63.46 140.02 58.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 118.054 0.927 . . . . 14.359999999999999 111.043 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 278' ' ' THR . . . . . . . . . . . . . 65.7 p -126.69 148.6 49.84 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 107.587 -1.264 . . . . 13.01 107.587 169.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 279' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -158.64 155.27 27.88 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.596 1.189 . . . . 15.91 109.967 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 280' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -81.54 -30.13 33.25 Favored 'General case' 0 C--O 1.199 -1.587 0 CA-C-N 114.567 -1.197 . . . . 17.960000000000001 114.016 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -73.45 134.44 79.58 Favored Pre-proline 0 C--N 1.314 -0.949 0 O-C-N 121.715 -0.616 . . . . 22.18 110.416 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 282' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -58.88 137.92 82.68 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 CA-C-N 118.777 0.599 . . . . 18.809999999999999 110.747 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 283' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.83 -3.33 11.16 Favored 'Trans proline' 0 N--CA 1.429 -2.308 0 N-CA-C 115.11 1.158 . . . . 21.16 115.11 -174.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 284' ' ' GLY . . . . . 0.42 ' O ' ' HD3' ' A' ' 256' ' ' PRO . . . 112.23 -166.4 12.19 Favored Glycine 0 N--CA 1.466 0.662 0 N-CA-C 107.412 -2.275 . . . . 24.82 107.412 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 285' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 114.63 1.345 . . . . 37.479999999999997 114.63 -174.797 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.443 -1.477 0 N-CA-C 111.313 -0.303 . . . . 30.32 111.313 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.74 147.46 92.49 Favored 'Trans proline' 0 CA--C 1.556 1.576 0 C-N-CA 120.285 0.657 . . . . 25.84 112.015 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.19 160.95 47.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 CA-C-O 117.638 -1.068 . . . . 26.460000000000001 113.077 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -56.93 151.61 48.26 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 124.912 3.742 . . . . 26.640000000000001 108.933 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.55 157.32 3.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.914 2.41 . . . . 21.93 108.355 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -62.69 156.77 51.04 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 116.581 -1.813 . . . . 16.77 111.1 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.25 163.0 40.26 Favored 'Trans proline' 0 N--CA 1.437 -1.817 0 O-C-N 123.631 1.332 . . . . 13.06 111.267 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.99 165.75 19.31 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.199 1.266 . . . . 15.140000000000001 111.568 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -60.72 161.04 22.56 Favored 'Trans proline' 0 C--O 1.256 1.4 0 C-N-CA 121.744 1.63 . . . . 21.120000000000001 112.545 172.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-N 111.067 -2.788 . . . . 24.440000000000001 106.779 178.656 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . 0.434 ' O ' ' CG ' ' A' ' 260' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.158 -0.312 . . . . 30.37 110.158 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -88.45 6.43 37.64 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.759 0.79 . . . . 32.86 112.322 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' LEU . . . . . . . . . . . . . 98.3 mt -118.52 162.82 28.56 Favored Pre-proline 0 CA--C 1.505 -0.784 0 C-N-CA 124.285 1.034 . . . . 24.41 110.93 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 284' ' ' GLY . 53.0 Cg_exo -62.23 158.34 40.4 Favored 'Trans proline' 0 N--CA 1.405 -3.727 0 CA-C-O 122.095 0.79 . . . . 21.94 110.263 178.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -51.14 135.44 25.62 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-O 122.946 1.355 . . . . 22.15 110.532 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' GLY . . . . . . . . . . . . . . . 93.92 -14.11 66.0 Favored Glycine 0 C--O 1.188 -2.728 0 CA-C-O 117.484 -1.731 . . . . 18.6 116.342 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.16 143.98 29.72 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 122.552 1.168 . . . . 18.59 111.18 -174.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' MET . . . . . 0.434 ' CG ' ' O ' ' A' ' 21' ' ' HOH . 13.1 mtt -127.08 139.92 52.65 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 124.759 2.219 . . . . 22.94 110.867 169.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -84.76 130.28 34.71 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.096 -1.866 . . . . 28.38 110.821 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' VAL . . . . . . . . . . . . . 48.1 t -117.27 129.94 72.97 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 C-N-CA 124.419 1.088 . . . . 17.53 108.285 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -94.15 130.68 40.26 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.32 1.6 . . . . 30.38 115.32 172.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -127.82 -170.8 2.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 117.371 -3.33 . . . . 40.17 105.788 169.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 75.3 p -65.02 -29.78 70.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.271 0.982 . . . . 31.91 112.226 -170.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 266' ' ' SER . . . . . . . . . . . . . 50.4 m -92.78 -18.52 22.8 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 113.131 0.789 . . . . 30.86 113.131 -174.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 267' ' ' GLY . . . . . . . . . . . . . . . 157.15 -163.01 32.17 Favored Glycine 0 N--CA 1.417 -2.617 0 CA-C-O 123.588 1.66 . . . . 28.14 110.972 174.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 268' ' ' THR . . . . . . . . . . . . . 90.1 m -100.14 133.42 44.57 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 111.648 -2.276 . . . . 24.31 110.206 -174.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 269' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -126.61 -176.65 3.74 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.806 0.812 . . . . 14.54 109.049 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 270' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -127.49 139.14 52.99 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 114.69 -1.141 . . . . 22.44 111.025 -171.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 271' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -123.01 123.58 41.19 Favored 'General case' 0 C--O 1.258 1.513 0 C-N-CA 125.237 1.415 . . . . 17.86 110.65 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 272' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -94.95 107.5 19.54 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 105.86 -1.904 . . . . 14.71 105.86 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.38 -41.69 85.01 Favored Pre-proline 0 C--O 1.201 -1.461 0 N-CA-C 114.239 1.2 . . . . 18.58 114.239 -174.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 274' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -64.1 -28.4 65.41 Favored 'Trans proline' 0 CA--C 1.5 -1.189 0 C-N-CA 116.144 -2.104 . . . . 16.97 116.408 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 275' ' ' THR . . . . . . . . . . . . . 73.2 p -107.15 -23.9 12.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.661 1.356 . . . . 16.92 114.661 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 276' ' ' GLY . . . . . . . . . . . . . . . 84.21 5.72 87.07 Favored Glycine 0 N--CA 1.477 1.419 0 CA-C-O 118.099 -1.39 . . . . 16.29 112.663 -170.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 277' ' ' THR . . . . . . . . . . . . . 92.5 m -63.46 140.02 58.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 118.054 0.927 . . . . 14.36 111.043 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 278' ' ' THR . . . . . . . . . . . . . 65.7 p -126.69 148.6 49.84 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 107.587 -1.264 . . . . 13.01 107.587 169.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 279' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -158.64 155.27 27.88 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.596 1.189 . . . . 15.91 109.967 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 280' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -81.54 -30.13 33.25 Favored 'General case' 0 C--O 1.199 -1.587 0 CA-C-N 114.567 -1.197 . . . . 17.96 114.016 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -73.45 134.44 79.58 Favored Pre-proline 0 C--N 1.314 -0.949 0 O-C-N 121.715 -0.616 . . . . 22.18 110.416 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 282' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -58.88 137.92 82.68 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 CA-C-N 118.777 0.599 . . . . 18.81 110.747 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 283' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.83 -3.33 11.16 Favored 'Trans proline' 0 N--CA 1.429 -2.308 0 N-CA-C 115.11 1.158 . . . . 21.16 115.11 -174.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.42 ' O ' ' HD3' ' A' ' 256' ' ' PRO . . . 112.23 -166.4 12.19 Favored Glycine 0 N--CA 1.466 0.662 0 N-CA-C 107.412 -2.275 . . . . 24.82 107.412 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 285' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 114.63 1.345 . . . . 37.48 114.63 -174.797 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.443 -1.477 0 N-CA-C 111.313 -0.303 . . . . 30.32 111.313 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.74 147.46 92.49 Favored 'Trans proline' 0 CA--C 1.556 1.576 0 C-N-CA 120.285 0.657 . . . . 25.84 112.015 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.19 160.95 47.44 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 CA-C-O 117.638 -1.068 . . . . 26.46 113.077 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -56.93 151.61 48.26 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 124.912 3.742 . . . . 26.64 108.933 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.55 157.32 3.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.914 2.41 . . . . 21.93 108.355 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -62.69 156.77 51.04 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 116.581 -1.813 . . . . 16.77 111.1 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.25 163.0 40.26 Favored 'Trans proline' 0 N--CA 1.437 -1.817 0 O-C-N 123.631 1.332 . . . . 13.06 111.267 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.99 165.75 19.31 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.199 1.266 . . . . 15.14 111.568 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -60.72 161.04 22.56 Favored 'Trans proline' 0 C--O 1.256 1.4 0 C-N-CA 121.744 1.63 . . . . 21.12 112.545 172.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-N 111.067 -2.788 . . . . 24.44 106.779 178.656 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . 0.434 ' O ' ' CG ' ' A' ' 260' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_