data_1m24_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 1m24 _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.398 . . . . . . . . 9.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.664 0.745 . . . . 9.63 109.074 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.43 -40.07 68.93 Favored Glycine 0 C--O 1.249 1.093 0 O-C-N 120.278 -1.514 . . . . 4.49 111.998 -174.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 CA-C-O 122.766 1.27 . . . . 6.27 108.632 175.396 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.75 -45.57 78.14 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 120.87 -1.143 . . . . 9.38 110.449 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.532 0 N-CA-C 108.54 -0.911 . . . . 7.25 108.54 177.643 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.26 -43.62 66.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.956 -0.566 . . . . 23.65 112.236 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 107.998 -1.112 . . . . 6.57 107.998 176.877 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.408 -0.96 . . . . 7.0 108.408 -179.152 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.734 0 N-CA-C 108.944 -0.761 . . . . 5.5 108.944 -175.188 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.2 67.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.583 0.957 . . . . 3.89 113.583 -172.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.58 -22.52 26.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 114.041 1.126 . . . . 6.65 114.041 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 118.368 -0.825 . . . . 5.33 112.484 -174.116 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -58.03 -22.98 58.16 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 N-CA-C 116.068 1.526 . . . . 4.03 116.068 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.61 -54.28 34.51 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 118.127 -1.429 . . . . 6.01 110.155 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 122.004 0.907 . . . . 5.61 109.587 -179.438 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 C-N-CA 124.127 0.971 . . . . 4.67 110.538 -174.077 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -79.84 0.86 29.21 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 117.543 -1.217 . . . . 6.06 113.35 -174.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 . . . . . . . . 13.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.945 0 N-CA-C 108.017 -1.105 . . . . 13.75 108.017 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.82 90.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.478 -0.764 . . . . 5.26 113.238 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.781 0 N-CA-C 108.315 -0.994 . . . . 7.14 108.315 178.012 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 mt -70.86 -40.57 72.23 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-O 118.594 -0.717 . . . . 11.21 110.541 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 N-CA-C 107.652 -1.24 . . . . 8.54 107.652 175.335 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -73.25 -38.99 65.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.661 0.615 . . . . 6.45 112.661 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.769 -1.196 . . . . 6.2 107.769 174.461 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 115.469 -0.787 . . . . 7.58 108.924 -177.065 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.156 0 N-CA-C 108.122 -1.066 . . . . 6.55 108.122 -175.424 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.95 -23.77 63.85 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.146 0.795 . . . . 5.1 113.146 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.78 -19.22 45.31 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.792 1.404 . . . . 6.66 114.792 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.241 0 CA-C-O 118.294 -0.86 . . . . 6.47 110.481 -168.066 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -61.88 -21.88 73.17 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 CA-C-N 120.983 1.387 . . . . 4.2 113.912 -177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.92 -56.61 17.45 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.444 1.02 . . . . 7.42 110.314 174.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 122.319 1.057 . . . . 6.31 109.233 -179.829 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.233 -0.894 . . . . 5.15 109.413 -172.533 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -81.67 -35.05 30.34 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 118.102 -0.951 . . . . 5.26 113.275 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.398 . . . . . . . . 6.0599999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.664 0.745 . . . . 6.4199999999999999 109.074 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.43 -40.07 68.93 Favored Glycine 0 C--O 1.249 1.093 0 O-C-N 120.278 -1.514 . . . . 3.7400000000000002 111.998 -174.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 CA-C-O 122.766 1.27 . . . . 4.1799999999999997 108.632 175.396 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.75 -45.57 78.14 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 120.87 -1.143 . . . . 6.25 110.449 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.532 0 N-CA-C 108.54 -0.911 . . . . 4.8300000000000001 108.54 177.643 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -71.26 -43.62 66.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.956 -0.566 . . . . 19.710000000000001 112.236 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 107.998 -1.112 . . . . 4.3799999999999999 107.998 176.877 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.408 -0.96 . . . . 4.6699999999999999 108.408 -179.152 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.734 0 N-CA-C 108.944 -0.761 . . . . 3.6699999999999999 108.944 -175.188 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.2 67.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.583 0.957 . . . . 3.3500000000000001 113.583 -172.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.58 -22.52 26.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 114.041 1.126 . . . . 4.4299999999999997 114.041 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 118.368 -0.825 . . . . 3.5600000000000001 112.484 -174.116 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -58.03 -22.98 58.16 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 N-CA-C 116.068 1.526 . . . . 3.3599999999999999 116.068 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.61 -54.28 34.51 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 118.127 -1.429 . . . . 4.0099999999999998 110.155 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 122.004 0.907 . . . . 3.7400000000000002 109.587 -179.438 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 C-N-CA 124.127 0.971 . . . . 3.1800000000000002 110.538 -174.077 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -79.84 0.86 29.21 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 117.543 -1.217 . . . . 5.5 113.35 -174.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VOL . . . . . 0.447 ' OH ' ' O ' ' A' 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 . . . . . . . . 8.8100000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.945 0 N-CA-C 108.017 -1.105 . . . . 9.1699999999999999 108.017 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.82 90.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.478 -0.764 . . . . 4.3899999999999997 113.238 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.781 0 N-CA-C 108.315 -0.994 . . . . 4.7599999999999998 108.315 178.012 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 mt -70.86 -40.57 72.23 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-O 118.594 -0.717 . . . . 7.4800000000000004 110.541 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 N-CA-C 107.652 -1.24 . . . . 5.7000000000000002 107.652 175.335 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . 0.54 ' HA ' ' H23' ' B' ' 19' ' ' CCN . 41.5 tt0 -73.25 -38.99 65.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.661 0.615 . . . . 6.4500000000000002 112.661 -173.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.769 -1.196 . . . . 4.1299999999999999 107.769 174.461 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 115.469 -0.787 . . . . 5.0499999999999998 108.924 -177.065 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.156 0 N-CA-C 108.122 -1.066 . . . . 4.3600000000000003 108.122 -175.424 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.95 -23.77 63.85 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.146 0.795 . . . . 3.7799999999999998 113.146 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.78 -19.22 45.31 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.792 1.404 . . . . 4.4400000000000004 114.792 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.241 0 CA-C-O 118.294 -0.86 . . . . 4.3200000000000003 110.481 -168.066 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -61.88 -21.88 73.17 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 CA-C-N 120.983 1.387 . . . . 3.5 113.912 -177.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.92 -56.61 17.45 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.444 1.02 . . . . 4.9400000000000004 110.314 174.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 122.319 1.057 . . . . 4.21 109.233 -179.829 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.233 -0.894 . . . . 3.4300000000000002 109.413 -172.533 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -81.67 -35.05 30.34 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 118.102 -0.951 . . . . 5.2599999999999998 113.275 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CCN . . . . . 0.54 ' H23' ' HA ' ' B' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . 0.447 ' O ' ' OH ' ' A' ' 18' ' ' VOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.398 . . . . . . . . 6.0599999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.664 0.745 . . . . 6.4199999999999999 109.074 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.43 -40.07 68.93 Favored Glycine 0 C--O 1.249 1.093 0 O-C-N 120.278 -1.514 . . . . 3.7400000000000002 111.998 -174.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 CA-C-O 122.766 1.27 . . . . 4.1799999999999997 108.632 175.396 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.75 -45.57 78.14 Favored 'General case' 0 C--O 1.249 1.056 0 O-C-N 120.87 -1.143 . . . . 6.25 110.449 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.532 0 N-CA-C 108.54 -0.911 . . . . 4.8300000000000001 108.54 177.643 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.26 -43.62 66.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.956 -0.566 . . . . 19.710000000000001 112.236 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 107.998 -1.112 . . . . 4.3799999999999999 107.998 176.877 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.408 -0.96 . . . . 4.6699999999999999 108.408 -179.152 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.734 0 N-CA-C 108.944 -0.761 . . . . 3.6699999999999999 108.944 -175.188 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.2 67.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.583 0.957 . . . . 3.3500000000000001 113.583 -172.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.58 -22.52 26.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 114.041 1.126 . . . . 4.4299999999999997 114.041 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 118.368 -0.825 . . . . 3.5600000000000001 112.484 -174.116 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -58.03 -22.98 58.16 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 N-CA-C 116.068 1.526 . . . . 3.3599999999999999 116.068 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.61 -54.28 34.51 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 118.127 -1.429 . . . . 4.0099999999999998 110.155 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 122.004 0.907 . . . . 3.7400000000000002 109.587 -179.438 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 C-N-CA 124.127 0.971 . . . . 3.1800000000000002 110.538 -174.077 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -79.84 0.86 29.21 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 117.543 -1.217 . . . . 5.5 113.35 -174.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VOL . . . . . 0.447 ' OH ' ' O ' ' A' 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 . . . . . . . . 8.8100000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.945 0 N-CA-C 108.017 -1.105 . . . . 9.1699999999999999 108.017 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.82 90.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.478 -0.764 . . . . 4.3899999999999997 113.238 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.781 0 N-CA-C 108.315 -0.994 . . . . 4.7599999999999998 108.315 178.012 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 mt -70.86 -40.57 72.23 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-O 118.594 -0.717 . . . . 7.4800000000000004 110.541 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 N-CA-C 107.652 -1.24 . . . . 5.7000000000000002 107.652 175.335 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.54 ' HA ' ' H23' ' B' ' 19' ' ' CCN . 41.5 tt0 -73.25 -38.99 65.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.661 0.615 . . . . 6.4500000000000002 112.661 -173.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.769 -1.196 . . . . 4.1299999999999999 107.769 174.461 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 115.469 -0.787 . . . . 5.0499999999999998 108.924 -177.065 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.156 0 N-CA-C 108.122 -1.066 . . . . 4.3600000000000003 108.122 -175.424 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.95 -23.77 63.85 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.146 0.795 . . . . 3.7799999999999998 113.146 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.78 -19.22 45.31 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.792 1.404 . . . . 4.4400000000000004 114.792 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.241 0 CA-C-O 118.294 -0.86 . . . . 4.3200000000000003 110.481 -168.066 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -61.88 -21.88 73.17 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 CA-C-N 120.983 1.387 . . . . 3.5 113.912 -177.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.92 -56.61 17.45 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.444 1.02 . . . . 4.9400000000000004 110.314 174.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 122.319 1.057 . . . . 4.21 109.233 -179.829 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.233 -0.894 . . . . 3.4300000000000002 109.413 -172.533 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -81.67 -35.05 30.34 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 118.102 -0.951 . . . . 5.2599999999999998 113.275 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CCN . . . . . 0.54 ' H23' ' HA ' ' B' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . 0.447 ' O ' ' OH ' ' A' ' 18' ' ' VOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_