data_1xy1_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 1xy1 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -132.52 167.07 20.66 Favored 'General case' 0 C--N 1.399 2.758 0 CA-C-N 109.559 -3.473 . . . . 0.55 106.169 -171.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 mm -54.1 120.21 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.945 0 CA-C-N 112.835 -1.984 . . . . 1.48 110.148 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 57.74 24.08 10.26 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-O 125.725 2.679 . . . . 0.23 114.852 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -150.42 74.51 1.19 Allowed 'General case' 0 C--N 1.407 3.101 0 CA-C-O 125.541 2.591 . . . . 0.16 109.772 170.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.4 t -145.07 98.32 4.74 Favored Pre-proline 0 C--O 1.198 -1.65 0 CA-C-N 110.501 -3.045 . . . . 0.62 104.491 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -78.12 -7.73 16.3 Favored 'Trans proline' 1 C--N 1.416 4.1 0 O-C-N 118.923 -1.146 . . . . 0.64 112.176 -176.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 8' ' ' LEU . 81.2 mt -72.56 -40.58 66.54 Favored 'General case' 0 C--N 1.405 3.013 0 CA-C-O 123.238 1.495 . . . . 0.26 113.974 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.24 -177.81 43.32 Favored Glycine 0 C--N 1.391 3.584 1 CA-C-O 129.054 4.697 . . . . 0.79 104.09 -176.083 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.5 0 CA-C-N 111.596 -2.302 . . . . 0.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.52 164.51 21.02 Favored 'General case' 0 C--N 1.411 3.239 0 CA-C-N 109.426 -3.534 . . . . 0.9 106.21 -172.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.56 125.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 124.365 2.031 . . . . 0.72 110.414 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 56.53 28.67 14.2 Favored 'General case' 0 C--N 1.416 3.486 0 CA-C-N 113.876 -1.511 . . . . 0.25 112.625 -173.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -157.93 65.24 0.46 Allowed 'General case' 0 C--N 1.419 3.618 0 CA-C-O 124.423 2.059 . . . . 0.87 106.136 164.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 53.3 t -127.85 97.58 29.57 Favored Pre-proline 0 C--N 1.396 2.599 0 CA-C-O 124.417 2.056 . . . . 0.24 105.539 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.86 -11.84 25.93 Favored 'Trans proline' 0 C--N 1.404 3.464 0 O-C-N 118.126 -1.565 . . . . 0.46 113.463 -173.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.27 -32.82 55.83 Favored 'General case' 0 C--N 1.392 2.438 0 N-CA-C 114.424 1.268 . . . . 0.68 114.424 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.02 167.77 39.66 Favored Glycine 0 C--N 1.382 3.106 0 O-C-N 118.729 -2.482 . . . . 0.27 107.766 -173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.217 0 CA-C-N 110.859 -2.671 . . . . 0.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' 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 ' 14' ' ' 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 ' 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 build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -132.52 167.07 20.66 Favored 'General case' 0 C--N 1.399 2.758 0 CA-C-N 109.559 -3.473 . . . . 0.080000000000000002 106.169 -171.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 mm -54.1 120.21 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.945 0 CA-C-N 112.835 -1.984 . . . . 0.13 110.148 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 57.74 24.08 10.26 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-O 125.725 2.679 . . . . 0.10000000000000001 114.852 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -150.42 74.51 1.19 Allowed 'General case' 0 C--N 1.407 3.101 0 CA-C-O 125.541 2.591 . . . . 0.14999999999999999 109.772 170.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.4 t -145.07 98.32 4.74 Favored Pre-proline 0 C--O 1.198 -1.65 0 CA-C-N 110.501 -3.045 . . . . 0.12 104.491 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -78.12 -7.73 16.3 Favored 'Trans proline' 1 C--N 1.416 4.1 0 O-C-N 118.923 -1.146 . . . . 0.11 112.176 -176.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -72.56 -40.58 66.54 Favored 'General case' 0 C--N 1.405 3.013 0 CA-C-O 123.238 1.495 . . . . 0.14999999999999999 113.974 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.24 -177.81 43.32 Favored Glycine 0 C--N 1.391 3.584 1 CA-C-O 129.054 4.697 . . . . 0.10000000000000001 104.09 -176.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.5 0 CA-C-N 111.596 -2.302 . . . . 0.089999999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.52 164.51 21.02 Favored 'General case' 0 C--N 1.411 3.239 0 CA-C-N 109.426 -3.534 . . . . 0.089999999999999997 106.21 -172.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.56 125.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 124.365 2.031 . . . . 0.14000000000000001 110.414 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 56.53 28.67 14.2 Favored 'General case' 0 C--N 1.416 3.486 0 CA-C-N 113.876 -1.511 . . . . 0.17000000000000001 112.625 -173.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -157.93 65.24 0.46 Allowed 'General case' 0 C--N 1.419 3.618 0 CA-C-O 124.423 2.059 . . . . 0.089999999999999997 106.136 164.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 53.3 t -127.85 97.58 29.57 Favored Pre-proline 0 C--N 1.396 2.599 0 CA-C-O 124.417 2.056 . . . . 0.080000000000000002 105.539 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.86 -11.84 25.93 Favored 'Trans proline' 0 C--N 1.404 3.464 0 O-C-N 118.126 -1.565 . . . . 0.080000000000000002 113.463 -173.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.27 -32.82 55.83 Favored 'General case' 0 C--N 1.392 2.438 0 N-CA-C 114.424 1.268 . . . . 0.14999999999999999 114.424 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.02 167.77 39.66 Favored Glycine 0 C--N 1.382 3.106 0 O-C-N 118.729 -2.482 . . . . 0.089999999999999997 107.766 -173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.217 0 CA-C-N 110.859 -2.671 . . . . 0.089999999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' 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 ' 14' ' ' 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 ' 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 nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -132.52 167.07 20.66 Favored 'General case' 0 C--N 1.399 2.758 0 CA-C-N 109.559 -3.473 . . . . 0.080000000000000002 106.169 -171.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 mm -54.1 120.21 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.945 0 CA-C-N 112.835 -1.984 . . . . 0.13 110.148 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 57.74 24.08 10.26 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-O 125.725 2.679 . . . . 0.10000000000000001 114.852 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -150.42 74.51 1.19 Allowed 'General case' 0 C--N 1.407 3.101 0 CA-C-O 125.541 2.591 . . . . 0.14999999999999999 109.772 170.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.4 t -145.07 98.32 4.74 Favored Pre-proline 0 C--O 1.198 -1.65 0 CA-C-N 110.501 -3.045 . . . . 0.12 104.491 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -78.12 -7.73 16.3 Favored 'Trans proline' 1 C--N 1.416 4.1 0 O-C-N 118.923 -1.146 . . . . 0.11 112.176 -176.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -72.56 -40.58 66.54 Favored 'General case' 0 C--N 1.405 3.013 0 CA-C-O 123.238 1.495 . . . . 0.14999999999999999 113.974 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.24 -177.81 43.32 Favored Glycine 0 C--N 1.391 3.584 1 CA-C-O 129.054 4.697 . . . . 0.10000000000000001 104.09 -176.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.5 0 CA-C-N 111.596 -2.302 . . . . 0.089999999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.52 164.51 21.02 Favored 'General case' 0 C--N 1.411 3.239 0 CA-C-N 109.426 -3.534 . . . . 0.089999999999999997 106.21 -172.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.56 125.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 124.365 2.031 . . . . 0.14000000000000001 110.414 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 56.53 28.67 14.2 Favored 'General case' 0 C--N 1.416 3.486 0 CA-C-N 113.876 -1.511 . . . . 0.17000000000000001 112.625 -173.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -157.93 65.24 0.46 Allowed 'General case' 0 C--N 1.419 3.618 0 CA-C-O 124.423 2.059 . . . . 0.089999999999999997 106.136 164.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 53.3 t -127.85 97.58 29.57 Favored Pre-proline 0 C--N 1.396 2.599 0 CA-C-O 124.417 2.056 . . . . 0.080000000000000002 105.539 177.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.86 -11.84 25.93 Favored 'Trans proline' 0 C--N 1.404 3.464 0 O-C-N 118.126 -1.565 . . . . 0.080000000000000002 113.463 -173.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.27 -32.82 55.83 Favored 'General case' 0 C--N 1.392 2.438 0 N-CA-C 114.424 1.268 . . . . 0.14999999999999999 114.424 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.02 167.77 39.66 Favored Glycine 0 C--N 1.382 3.106 0 O-C-N 118.729 -2.482 . . . . 0.089999999999999997 107.766 -173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.217 0 CA-C-N 110.859 -2.671 . . . . 0.089999999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' 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 ' 14' ' ' 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 ' 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 stop_ save_