data_6kug_residue ############################ # Computer software used # ############################ 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 6kug _Structure_validation_residue.Date_analyzed 2020-01-31 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 ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 202' ' ' HOH . 2.0 mttp . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.926 0.393 . . . . 57.59 111.148 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -70.83 134.89 47.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.835 -0.62 . . . . 56.88 110.519 -176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -79.64 126.26 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.797 -0.816 . . . . 29.93 108.797 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.61 -37.39 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 122.627 0.371 . . . . 32.31 111.762 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.48 148.25 27.83 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.368 -0.975 . . . . 23.14 108.368 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.1 p -124.63 158.24 33.58 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.655 0.74 . . . . 34.13 111.001 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mttt 57.47 40.86 26.87 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.155 -0.929 . . . . 52.31 111.624 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.82 135.05 25.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.447 -0.946 . . . . 24.59 108.447 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -98.23 142.71 29.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.783 -0.451 . . . . 26.93 109.783 174.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.09 172.29 33.98 Favored Glycine 0 CA--C 1.508 -0.362 0 C-N-CA 119.799 -1.191 . . . . 20.82 110.718 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 m -114.9 131.81 56.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.58 -0.896 . . . . 35.18 108.58 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.89 119.56 16.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 108.766 -0.827 . . . . 20.77 108.766 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' NZ ' ' N3 ' ' B' ' 3' ' ' ' C' . 24.7 ttpt -73.39 -56.15 5.43 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.405 0.621 . . . . 44.54 109.5 176.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -157.93 156.27 30.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.333 -1.358 . . . . 28.45 107.333 169.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -142.28 122.9 14.18 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.048 -1.464 . . . . 22.48 107.048 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.26 116.32 31.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.585 -0.894 . . . . 24.62 108.585 -173.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 m -75.73 -21.19 15.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 120.284 -0.566 . . . . 25.07 112.447 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -72.15 -43.99 63.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.524 -0.47 . . . . 64.19 110.878 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -87.9 -17.77 30.66 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.245 0.831 . . . . 47.35 113.245 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.31 62.65 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.65 1.02 . . . . 21.32 115.65 175.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -154.47 171.11 19.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.727 1.264 . . . . 38.58 110.094 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.26 -160.81 16.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.79 -1.324 . . . . 18.65 109.79 176.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -137.48 142.62 41.52 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.06 -0.348 . . . . 25.33 110.06 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.6 mt -115.25 129.97 70.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 107.196 -1.409 . . . . 20.97 107.196 175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -87.93 117.51 26.84 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.446 -0.575 . . . . 27.42 109.446 174.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -65.14 131.56 46.86 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.332 0.395 . . . . 27.21 110.957 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -73.15 -28.06 62.02 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.731 -0.788 . . . . 29.42 111.884 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . 0.926 ' CB ' ' O ' ' A' ' 223' ' ' HOH . 45.4 p-10 -78.89 -33.38 45.71 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 113.463 0.912 . . . . 29.4 113.463 -176.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -119.01 -12.52 9.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 113.698 0.999 . . . . 24.08 113.698 -177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt 67.18 15.74 10.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.611 1.164 . . . . 40.4 113.248 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -94.68 141.81 28.18 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.865 -0.522 . . . . 49.27 110.519 174.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -71.63 142.78 49.94 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.876 -0.602 . . . . 34.12 110.614 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -125.59 131.42 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 107.98 -1.119 . . . . 32.25 107.98 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.01 140.82 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.835 -0.621 . . . . 25.71 110.0 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.7 p -133.32 123.34 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.628 -0.879 . . . . 20.57 108.628 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -94.05 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.174 0.511 . . . . 32.68 109.818 172.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -57.32 -35.33 69.74 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.1 -0.64 . . . . 29.34 112.176 -176.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 48.5 p -66.84 -15.5 63.65 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.925 0.713 . . . . 31.26 112.925 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.55 -2.88 58.91 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.102 0.778 . . . . 26.01 113.102 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.1 130.71 44.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.443 -0.947 . . . . 26.35 108.443 -176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -72.55 150.12 43.44 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.627 0.727 . . . . 54.31 110.589 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.165 -0.925 . . . . 60.1 111.229 178.066 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.249 0.547 . . . . 46.76 112.263 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.69 -36.49 67.19 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.008 -0.996 . . . . 45.38 112.223 -167.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -115.9 91.48 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.145 -1.057 . . . . 44.27 108.145 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.3 p -156.63 159.51 38.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.318 -0.993 . . . . 28.13 108.318 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.2 m -130.41 162.57 38.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 107.291 -1.374 . . . . 21.91 107.291 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.02 143.36 15.8 Favored Glycine 0 C--O 1.243 0.68 0 CA-C-N 115.839 -0.619 . . . . 20.82 111.937 -174.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -57.72 132.27 52.79 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.133 -0.691 . . . . 20.91 109.133 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.65 -11.45 71.61 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 115.373 0.909 . . . . 24.01 115.373 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -80.5 155.08 27.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.169 1.484 . . . . 40.36 112.336 -178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 m -90.74 130.84 36.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.411 -1.329 . . . . 26.05 107.411 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.94 159.15 43.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 108.614 -0.884 . . . . 20.79 108.614 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -118.57 141.19 48.82 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.306 -0.998 . . . . 41.44 108.306 176.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -163.17 162.64 25.62 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.559 -0.856 . . . . 23.76 109.728 -169.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -94.03 155.61 17.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.779 -1.1 . . . . 30.18 108.707 166.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.64 125.46 68.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.976 -1.49 . . . . 25.51 106.976 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.29 162.33 32.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.855 0.835 . . . . 31.5 109.747 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -93.73 102.68 14.84 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.286 -0.87 . . . . 60.66 108.745 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.66 -177.14 51.08 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-O 122.627 1.126 . . . . 53.09 111.99 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -72.97 -9.57 58.86 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.611 -0.836 . . . . 75.3 112.674 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -119.65 10.59 11.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.772 0.656 . . . . 62.69 112.772 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.61 -166.58 15.08 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.178 -0.769 . . . . 49.57 111.178 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.07 145.44 56.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.081 -0.559 . . . . 38.9 110.702 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -152.68 159.47 43.17 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.467 -0.938 . . . . 45.73 108.467 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.34 151.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.681 0.753 . . . . 26.16 110.668 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.42 152.86 44.65 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.454 -0.943 . . . . 23.9 108.454 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 56.47 45.17 23.03 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 33.47 111.011 172.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -75.77 122.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.834 -0.802 . . . . 22.61 108.834 -174.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 40.6 p -135.14 177.25 7.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.416 -0.957 . . . . 30.89 108.416 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.56 165.49 49.96 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.601 -1.0 . . . . 30.15 110.601 165.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.65 -8.17 12.46 Favored 'Trans proline' 0 C--O 1.237 0.45 0 N-CA-C 114.205 0.81 . . . . 39.98 114.205 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-N 118.876 0.762 . . . . 42.79 112.665 -175.105 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O5'-C5'-C4' 111.908 1.22 . 0.0 '__' . 67.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 N19-C1'-C2' 114.896 0.935 . 0.459 4b . 49.92 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' C' . . . . . 0.508 ' N3 ' ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 O5'--C5' 1.421 -1.165 0 O5'-C5'-C4' 111.511 0.937 . 0.61 0b . 55.62 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.175 0 O5'-C5'-C4' 111.888 1.206 . 0.0 OUTLIER . 57.03 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . 0.926 ' O ' ' CB ' ' A' ' 79' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 202' ' ' HOH . 2.0 mttp . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.926 0.393 . . . . 57.590000000000003 111.148 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -70.83 134.89 47.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.835 -0.62 . . . . 56.880000000000003 110.519 -176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -79.64 126.26 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.797 -0.816 . . . . 29.93 108.797 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.61 -37.39 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 122.627 0.371 . . . . 32.310000000000002 111.762 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.48 148.25 27.83 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.368 -0.975 . . . . 23.140000000000001 108.368 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.1 p -124.63 158.24 33.58 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.655 0.74 . . . . 34.130000000000003 111.001 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mttt 57.47 40.86 26.87 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.155 -0.929 . . . . 52.310000000000002 111.624 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.82 135.05 25.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.447 -0.946 . . . . 24.59 108.447 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -98.23 142.71 29.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.783 -0.451 . . . . 26.93 109.783 174.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.09 172.29 33.98 Favored Glycine 0 CA--C 1.508 -0.362 0 C-N-CA 119.799 -1.191 . . . . 20.82 110.718 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 m -114.9 131.81 56.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.58 -0.896 . . . . 35.18 108.58 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.89 119.56 16.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 108.766 -0.827 . . . . 20.77 108.766 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -73.39 -56.15 5.43 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.405 0.621 . . . . 44.539999999999999 109.5 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -157.93 156.27 30.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.333 -1.358 . . . . 28.449999999999999 107.333 169.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -142.28 122.9 14.18 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.048 -1.464 . . . . 22.48 107.048 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.26 116.32 31.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.585 -0.894 . . . . 24.620000000000001 108.585 -173.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 m -75.73 -21.19 15.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 120.284 -0.566 . . . . 25.07 112.447 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -72.15 -43.99 63.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.524 -0.47 . . . . 64.189999999999998 110.878 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -87.9 -17.77 30.66 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.245 0.831 . . . . 47.350000000000001 113.245 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.31 62.65 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.65 1.02 . . . . 21.32 115.65 175.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -154.47 171.11 19.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.727 1.264 . . . . 38.579999999999998 110.094 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.26 -160.81 16.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.79 -1.324 . . . . 18.649999999999999 109.79 176.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -137.48 142.62 41.52 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.06 -0.348 . . . . 25.329999999999998 110.06 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.6 mt -115.25 129.97 70.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 107.196 -1.409 . . . . 20.969999999999999 107.196 175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -87.93 117.51 26.84 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.446 -0.575 . . . . 27.420000000000002 109.446 174.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -65.14 131.56 46.86 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.332 0.395 . . . . 27.210000000000001 110.957 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -73.15 -28.06 62.02 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.731 -0.788 . . . . 29.420000000000002 111.884 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . 1.307 ' HB2' ' O ' ' A' ' 223' ' ' HOH . 45.4 p-10 -78.89 -33.38 45.71 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 113.463 0.912 . . . . 29.399999999999999 113.463 -176.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -119.01 -12.52 9.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 113.698 0.999 . . . . 24.079999999999998 113.698 -177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt 67.18 15.74 10.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.611 1.164 . . . . 40.399999999999999 113.248 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -94.68 141.81 28.18 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.865 -0.522 . . . . 49.270000000000003 110.519 174.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -71.63 142.78 49.94 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.876 -0.602 . . . . 34.119999999999997 110.614 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -125.59 131.42 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 107.98 -1.119 . . . . 32.25 107.98 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.01 140.82 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.835 -0.621 . . . . 25.710000000000001 110.0 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.7 p -133.32 123.34 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.628 -0.879 . . . . 20.57 108.628 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -94.05 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.174 0.511 . . . . 32.68 109.818 172.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -57.32 -35.33 69.74 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.1 -0.64 . . . . 29.34 112.176 -176.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 48.5 p -66.84 -15.5 63.65 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.925 0.713 . . . . 31.260000000000002 112.925 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.55 -2.88 58.91 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.102 0.778 . . . . 26.010000000000002 113.102 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.1 130.71 44.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.443 -0.947 . . . . 26.350000000000001 108.443 -176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -72.55 150.12 43.44 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.627 0.727 . . . . 54.310000000000002 110.589 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' H ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 mppt? . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.165 -0.925 . . . . 60.100000000000001 111.229 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.249 0.547 . . . . 46.759999999999998 112.263 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.69 -36.49 67.19 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.008 -0.996 . . . . 45.380000000000003 112.223 -167.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -115.9 91.48 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.145 -1.057 . . . . 44.270000000000003 108.145 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.3 p -156.63 159.51 38.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.318 -0.993 . . . . 28.129999999999999 108.318 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.2 m -130.41 162.57 38.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 107.291 -1.374 . . . . 21.91 107.291 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.02 143.36 15.8 Favored Glycine 0 C--O 1.243 0.68 0 CA-C-N 115.839 -0.619 . . . . 20.82 111.937 -174.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -57.72 132.27 52.79 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.133 -0.691 . . . . 20.91 109.133 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.65 -11.45 71.61 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 115.373 0.909 . . . . 24.010000000000002 115.373 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -80.5 155.08 27.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.169 1.484 . . . . 40.359999999999999 112.336 -178.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 m -90.74 130.84 36.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.411 -1.329 . . . . 26.050000000000001 107.411 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.94 159.15 43.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 108.614 -0.884 . . . . 20.789999999999999 108.614 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -118.57 141.19 48.82 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.306 -0.998 . . . . 41.439999999999998 108.306 176.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -163.17 162.64 25.62 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.559 -0.856 . . . . 23.760000000000002 109.728 -169.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -94.03 155.61 17.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.779 -1.1 . . . . 30.18 108.707 166.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.64 125.46 68.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.976 -1.49 . . . . 25.510000000000002 106.976 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.29 162.33 32.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.855 0.835 . . . . 31.5 109.747 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -93.73 102.68 14.84 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.286 -0.87 . . . . 60.659999999999997 108.745 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.66 -177.14 51.08 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-O 122.627 1.126 . . . . 53.090000000000003 111.99 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -72.97 -9.57 58.86 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.611 -0.836 . . . . 75.299999999999997 112.674 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -119.65 10.59 11.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.772 0.656 . . . . 62.689999999999998 112.772 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.61 -166.58 15.08 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.178 -0.769 . . . . 49.57 111.178 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.07 145.44 56.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.081 -0.559 . . . . 38.899999999999999 110.702 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -152.68 159.47 43.17 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.467 -0.938 . . . . 45.729999999999997 108.467 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.34 151.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.681 0.753 . . . . 26.16 110.668 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.42 152.86 44.65 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.454 -0.943 . . . . 23.899999999999999 108.454 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 56.47 45.17 23.03 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 33.469999999999999 111.011 172.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -75.77 122.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.834 -0.802 . . . . 22.609999999999999 108.834 -174.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 40.6 p -135.14 177.25 7.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.416 -0.957 . . . . 30.890000000000001 108.416 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.56 165.49 49.96 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.601 -1.0 . . . . 30.149999999999999 110.601 165.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.65 -8.17 12.46 Favored 'Trans proline' 0 C--O 1.237 0.45 0 N-CA-C 114.205 0.81 . . . . 39.979999999999997 114.205 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-N 118.876 0.762 . . . . 42.789999999999999 112.665 -175.105 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O5'-C5'-C4' 111.908 1.22 . 0.0 '__' . 67.540000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 N19-C1'-C2' 114.896 0.935 . 0.459 4b . 49.920000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.165 0 O5'-C5'-C4' 111.511 0.937 . 0.61 0b . 55.619999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.175 0 O5'-C5'-C4' 111.888 1.206 . 0.0 OUTLIER . 57.030000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . 1.307 ' O ' ' HB2' ' A' ' 79' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 202' ' ' HOH . 2.0 mttp . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.926 0.393 . . . . 57.59 111.148 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -70.83 134.89 47.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.835 -0.62 . . . . 56.88 110.519 -176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -79.64 126.26 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.797 -0.816 . . . . 29.93 108.797 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.61 -37.39 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 122.627 0.371 . . . . 32.31 111.762 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.48 148.25 27.83 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.368 -0.975 . . . . 23.14 108.368 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.1 p -124.63 158.24 33.58 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.655 0.74 . . . . 34.13 111.001 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mttt 57.47 40.86 26.87 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.155 -0.929 . . . . 52.31 111.624 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.82 135.05 25.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 108.447 -0.946 . . . . 24.59 108.447 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -98.23 142.71 29.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.783 -0.451 . . . . 26.93 109.783 174.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.09 172.29 33.98 Favored Glycine 0 CA--C 1.508 -0.362 0 C-N-CA 119.799 -1.191 . . . . 20.82 110.718 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 m -114.9 131.81 56.74 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.58 -0.896 . . . . 35.18 108.58 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.89 119.56 16.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 108.766 -0.827 . . . . 20.77 108.766 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -73.39 -56.15 5.43 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.405 0.621 . . . . 44.54 109.5 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -157.93 156.27 30.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.333 -1.358 . . . . 28.45 107.333 169.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -142.28 122.9 14.18 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.048 -1.464 . . . . 22.48 107.048 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -105.26 116.32 31.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.585 -0.894 . . . . 24.62 108.585 -173.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.0 m -75.73 -21.19 15.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 120.284 -0.566 . . . . 25.07 112.447 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -72.15 -43.99 63.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.524 -0.47 . . . . 64.19 110.878 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -87.9 -17.77 30.66 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.245 0.831 . . . . 47.35 113.245 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.31 62.65 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.65 1.02 . . . . 21.32 115.65 175.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -154.47 171.11 19.9 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.727 1.264 . . . . 38.58 110.094 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.26 -160.81 16.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.79 -1.324 . . . . 18.65 109.79 176.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -137.48 142.62 41.52 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.06 -0.348 . . . . 25.33 110.06 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.6 mt -115.25 129.97 70.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 107.196 -1.409 . . . . 20.97 107.196 175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -87.93 117.51 26.84 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.446 -0.575 . . . . 27.42 109.446 174.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -65.14 131.56 46.86 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.332 0.395 . . . . 27.21 110.957 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -73.15 -28.06 62.02 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.731 -0.788 . . . . 29.42 111.884 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . 1.307 ' HB2' ' O ' ' A' ' 223' ' ' HOH . 45.4 p-10 -78.89 -33.38 45.71 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 113.463 0.912 . . . . 29.4 113.463 -176.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -119.01 -12.52 9.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 113.698 0.999 . . . . 24.08 113.698 -177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt 67.18 15.74 10.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.611 1.164 . . . . 40.4 113.248 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -94.68 141.81 28.18 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.865 -0.522 . . . . 49.27 110.519 174.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -71.63 142.78 49.94 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.876 -0.602 . . . . 34.12 110.614 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -125.59 131.42 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 107.98 -1.119 . . . . 32.25 107.98 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.01 140.82 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.835 -0.621 . . . . 25.71 110.0 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.7 p -133.32 123.34 46.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.628 -0.879 . . . . 20.57 108.628 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -94.05 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.174 0.511 . . . . 32.68 109.818 172.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -57.32 -35.33 69.74 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.1 -0.64 . . . . 29.34 112.176 -176.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 48.5 p -66.84 -15.5 63.65 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.925 0.713 . . . . 31.26 112.925 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.55 -2.88 58.91 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.102 0.778 . . . . 26.01 113.102 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.1 130.71 44.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.443 -0.947 . . . . 26.35 108.443 -176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -72.55 150.12 43.44 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.627 0.727 . . . . 54.31 110.589 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' H ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 mppt? . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.165 -0.925 . . . . 60.1 111.229 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.249 0.547 . . . . 46.76 112.263 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.69 -36.49 67.19 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.008 -0.996 . . . . 45.38 112.223 -167.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -115.9 91.48 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.145 -1.057 . . . . 44.27 108.145 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.3 p -156.63 159.51 38.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.318 -0.993 . . . . 28.13 108.318 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.2 m -130.41 162.57 38.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 107.291 -1.374 . . . . 21.91 107.291 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.02 143.36 15.8 Favored Glycine 0 C--O 1.243 0.68 0 CA-C-N 115.839 -0.619 . . . . 20.82 111.937 -174.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -57.72 132.27 52.79 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.133 -0.691 . . . . 20.91 109.133 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.65 -11.45 71.61 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 115.373 0.909 . . . . 24.01 115.373 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -80.5 155.08 27.18 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.169 1.484 . . . . 40.36 112.336 -178.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 m -90.74 130.84 36.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.411 -1.329 . . . . 26.05 107.411 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.94 159.15 43.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 108.614 -0.884 . . . . 20.79 108.614 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -118.57 141.19 48.82 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.306 -0.998 . . . . 41.44 108.306 176.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -163.17 162.64 25.62 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.559 -0.856 . . . . 23.76 109.728 -169.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -94.03 155.61 17.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.779 -1.1 . . . . 30.18 108.707 166.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.64 125.46 68.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.976 -1.49 . . . . 25.51 106.976 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.29 162.33 32.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 121.855 0.835 . . . . 31.5 109.747 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -93.73 102.68 14.84 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.286 -0.87 . . . . 60.66 108.745 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.66 -177.14 51.08 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-O 122.627 1.126 . . . . 53.09 111.99 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -72.97 -9.57 58.86 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.611 -0.836 . . . . 75.3 112.674 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -119.65 10.59 11.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.772 0.656 . . . . 62.69 112.772 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.61 -166.58 15.08 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.178 -0.769 . . . . 49.57 111.178 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.07 145.44 56.31 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.081 -0.559 . . . . 38.9 110.702 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -152.68 159.47 43.17 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.467 -0.938 . . . . 45.73 108.467 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.34 151.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.681 0.753 . . . . 26.16 110.668 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.42 152.86 44.65 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.454 -0.943 . . . . 23.9 108.454 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 56.47 45.17 23.03 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 33.47 111.011 172.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -75.77 122.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.834 -0.802 . . . . 22.61 108.834 -174.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 40.6 p -135.14 177.25 7.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.416 -0.957 . . . . 30.89 108.416 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.56 165.49 49.96 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.601 -1.0 . . . . 30.15 110.601 165.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.65 -8.17 12.46 Favored 'Trans proline' 0 C--O 1.237 0.45 0 N-CA-C 114.205 0.81 . . . . 39.98 114.205 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-N 118.876 0.762 . . . . 42.79 112.665 -175.105 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O5'-C5'-C4' 111.908 1.22 . 0.0 '__' . 67.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 N19-C1'-C2' 114.896 0.935 . 0.459 4b . 49.92 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.165 0 O5'-C5'-C4' 111.511 0.937 . 0.61 0b . 55.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.175 0 O5'-C5'-C4' 111.888 1.206 . 0.0 OUTLIER . 57.03 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . 1.307 ' O ' ' HB2' ' A' ' 79' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_