data_1bx7_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 1bx7 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.655 0 CA-C-O 114.986 -3.119 . . . . 68.790000000000006 110.27 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -78.51 149.69 33.07 Favored 'General case' 0 N--CA 1.472 0.636 1 CA-C-O 130.837 5.113 . . . . 41.829999999999998 113.489 -178.384 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -82.04 -175.89 5.86 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 116.587 -3.821 . . . . 33.890000000000001 106.507 167.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.4 101.85 11.0 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-O 116.778 -1.582 . . . . 28.399999999999999 106.851 178.445 -176.656 82.326 86.605 104.799 2.041 100.558 70.221 -171.369 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.47 30.32 55.38 Favored Glycine 0 N--CA 1.447 -0.604 0 O-C-N 126.144 2.152 . . . . 49.450000000000003 110.724 -173.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 130' ' ' HOH . . . 88.46 1.4 81.06 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 121.202 2.501 . . . . 40.240000000000002 116.769 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -123.99 158.91 30.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.561 1.144 . . . . 35.07 108.799 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.6 m -96.75 124.48 40.74 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 108.312 -0.996 . . . . 23.510000000000002 108.312 171.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.96 142.4 38.36 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.576 -1.268 . . . . 15.18 107.576 177.379 -59.004 -26.261 -91.411 106.761 2.026 104.751 -62.917 -63.757 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 p -75.63 173.52 10.93 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 123.208 1.48 . . . . 11.039999999999999 110.75 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -31.52 68.25 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 123.647 1.689 . . . . 13.289999999999999 114.13 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.79 61.72 Favored 'General case' 0 C--N 1.308 -1.224 1 O-C-N 116.05 -4.156 . . . . 10.73 114.767 175.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -104.98 162.21 13.54 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 123.764 1.745 . . . . 12.869999999999999 110.183 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 p -132.14 150.68 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 106.105 -1.813 . . . . 20.920000000000002 106.105 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.7 t -93.07 111.31 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 117.832 -1.08 . . . . 18.920000000000002 109.947 176.712 -171.369 70.221 86.605 100.558 2.041 104.799 82.326 -176.656 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -124.9 128.47 48.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 126.081 2.113 . . . . 18.989999999999998 107.757 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 mttt 49.2 40.65 18.34 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.652 1.22 . . . . 32.420000000000002 109.972 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.11 21.26 79.25 Favored Glycine 0 C--O 1.243 0.694 0 O-C-N 127.239 2.837 . . . . 27.309999999999999 116.512 172.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . . . -133.1 145.35 50.64 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.218 -0.593 . . . . 28.039999999999999 109.736 170.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.9 m -76.54 124.69 27.99 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 120.255 -0.578 . . . . 14.23 110.094 168.708 -63.757 -62.917 -91.411 104.751 2.026 106.761 -26.261 -59.004 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.52 155.67 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 CA-C-N 114.861 -1.063 . . . . 14.550000000000001 109.5 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.26 137.21 57.42 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 118.25 -1.38 . . . . 10.699999999999999 109.182 176.374 -57.097 -64.619 -82.317 105.006 2.048 104.748 -41.05 -51.653 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -68.96 172.08 7.16 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 117.497 -1.681 . . . . 26.489999999999998 109.517 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 152.36 22.93 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.207 -0.906 . . . . 22.719999999999999 109.25 176.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.8 t -108.55 125.24 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.455 -1.248 . . . . 15.07 110.803 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -139.15 100.45 4.02 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 126.417 2.323 . . . . 29.09 106.791 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.4 m -126.45 131.16 51.75 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.843 1.964 . . . . 13.029999999999999 108.677 178.992 -67.676 -60.651 -84.538 102.06 2.027 103.976 -82.231 -59.257 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' NE ' ' O ' ' A' ' 152' ' ' HOH . 48.2 ttt85 -84.43 -30.43 25.32 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.271 -0.877 . . . . 35.170000000000002 112.405 179.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.95 142.94 13.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 118.281 -1.368 . . . . 11.199999999999999 111.948 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -108.67 116.73 32.54 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 113.825 -1.534 . . . . 31.629999999999999 108.127 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.4 m -122.29 137.63 54.78 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 123.025 1.393 . . . . 11.630000000000001 112.203 -168.312 -60.913 -80.113 -73.012 104.123 2.044 104.611 -46.002 -64.076 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -63.49 -29.7 70.94 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 114.289 -1.323 . . . . 64.909999999999997 113.66 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -118.94 22.93 11.69 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 118.858 0.753 . . . . 31.120000000000001 110.391 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.94 -168.96 54.72 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 120.969 -1.082 . . . . 10.34 112.328 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.1 153.48 21.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 121.403 -1.057 . . . . 12.07 111.576 -171.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.43 137.41 40.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.059 0.933 . . . . 57.210000000000001 109.928 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -103.84 141.18 36.58 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 118.207 -0.901 . . . . 18.350000000000001 110.682 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -81.84 -174.94 5.32 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.242 2.214 . . . . 10.539999999999999 109.044 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.4 mp0 -70.95 -9.15 57.35 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 114.458 1.281 . . . . 14.16 114.458 -173.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -99.92 -0.66 39.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.163 0.982 . . . . 27.190000000000001 112.091 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.01 -1.67 65.38 Favored Glycine 0 C--O 1.267 2.188 0 C-N-CA 120.01 -1.09 . . . . 10.630000000000001 114.679 -176.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.2 m -83.32 148.76 27.16 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 119.43 1.615 . . . . 9.5700000000000003 111.661 -175.213 -51.653 -41.05 -82.317 104.748 2.048 105.006 -64.619 -57.097 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.257 45.1 mp0 -106.16 62.6 0.65 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.762 1.268 . . . . 20.68 111.975 -177.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -153.32 129.24 5.24 Favored Pre-proline 0 C--O 1.21 -0.996 0 O-C-N 119.471 -2.018 . . . . 54.939999999999998 108.806 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -63.66 158.8 67.16 Favored 'Cis proline' 0 C--N 1.304 -1.784 0 O-C-N 117.679 -1.8 . . . . 24.27 112.113 -9.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.5 m -67.73 122.37 17.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 125.234 1.584 . . . . 14.49 109.575 -177.069 -59.257 -82.231 -84.538 103.976 2.027 102.06 -60.651 -67.676 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -149.35 153.23 37.12 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.944 -1.132 . . . . 59.549999999999997 107.944 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.84 136.92 38.15 Favored 'General case' 0 C--O 1.263 1.802 0 CA-C-N 119.605 1.093 . . . . 16.379999999999999 109.023 177.099 -64.076 -46.002 -73.012 104.611 2.044 104.123 -80.113 -60.913 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 146.14 54.54 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 125.056 1.472 . . . . 15.699999999999999 112.535 174.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -68.29 -29.73 68.57 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 114.463 -2.684 . . . . 56.649999999999999 111.716 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 130.325 3.45 . . . . 65.859999999999999 115.145 -175.961 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . 0.405 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.655 0 CA-C-O 114.986 -3.119 . . . . 68.79 110.27 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -78.51 149.69 33.07 Favored 'General case' 0 N--CA 1.472 0.636 1 CA-C-O 130.837 5.113 . . . . 41.83 113.489 -178.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 143' ' ' HOH . 2.9 p -82.04 -175.89 5.86 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 116.587 -3.821 . . . . 33.89 106.507 167.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . 0.777 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 42.9 t -108.4 101.85 11.0 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-O 116.778 -1.582 . . . . 28.4 106.851 178.445 -176.656 82.326 86.605 104.799 2.041 100.558 70.221 -171.369 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.47 30.32 55.38 Favored Glycine 0 N--CA 1.447 -0.604 0 O-C-N 126.144 2.152 . . . . 49.45 110.724 -173.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 130' ' ' HOH . . . 88.46 1.4 81.06 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 121.202 2.501 . . . . 40.24 116.769 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.777 ' HG3' ' O ' ' A' ' 6' ' ' CYS . 72.4 mm-40 -123.99 158.91 30.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.561 1.144 . . . . 39.16 108.799 -175.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.6 m -96.75 124.48 40.74 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 108.312 -0.996 . . . . 23.51 108.312 171.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.96 142.4 38.36 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.576 -1.268 . . . . 15.18 107.576 177.379 -59.004 -26.261 -91.411 106.761 2.026 104.751 -62.917 -63.757 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 p -75.63 173.52 10.93 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 123.208 1.48 . . . . 11.04 110.75 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -31.52 68.25 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 123.647 1.689 . . . . 13.29 114.13 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.79 61.72 Favored 'General case' 0 C--N 1.308 -1.224 1 O-C-N 116.05 -4.156 . . . . 10.73 114.767 175.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -104.98 162.21 13.54 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 123.764 1.745 . . . . 12.87 110.183 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 p -132.14 150.68 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 106.105 -1.813 . . . . 20.92 106.105 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.7 t -93.07 111.31 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 117.832 -1.08 . . . . 18.92 109.947 176.712 -171.369 70.221 86.605 100.558 2.041 104.799 82.326 -176.656 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -124.9 128.47 48.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 126.081 2.113 . . . . 18.99 107.757 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 mttt 49.2 40.65 18.34 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.652 1.22 . . . . 32.42 109.972 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.11 21.26 79.25 Favored Glycine 0 C--O 1.243 0.694 0 O-C-N 127.239 2.837 . . . . 27.31 116.512 172.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . . . -133.1 145.35 50.64 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.218 -0.593 . . . . 28.04 109.736 170.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.9 m -76.54 124.69 27.99 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 120.255 -0.578 . . . . 14.23 110.094 168.708 -63.757 -62.917 -91.411 104.751 2.026 106.761 -26.261 -59.004 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.52 155.67 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 CA-C-N 114.861 -1.063 . . . . 14.55 109.5 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.26 137.21 57.42 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 118.25 -1.38 . . . . 10.7 109.182 176.374 -57.097 -64.619 -82.317 105.006 2.048 104.748 -41.05 -51.653 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -68.96 172.08 7.16 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 117.497 -1.681 . . . . 26.49 109.517 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 152.36 22.93 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.207 -0.906 . . . . 22.72 109.25 176.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.8 t -108.55 125.24 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.455 -1.248 . . . . 15.07 110.803 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -139.15 100.45 4.02 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 126.417 2.323 . . . . 29.09 106.791 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.4 m -126.45 131.16 51.75 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.843 1.964 . . . . 13.03 108.677 178.992 -67.676 -60.651 -84.538 102.06 2.027 103.976 -82.231 -59.257 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -84.43 -30.43 25.32 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.271 -0.877 . . . . 35.17 112.405 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.95 142.94 13.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 118.281 -1.368 . . . . 11.2 111.948 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -108.67 116.73 32.54 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 113.825 -1.534 . . . . 31.63 108.127 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.4 m -122.29 137.63 54.78 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 123.025 1.393 . . . . 11.63 112.203 -168.312 -60.913 -80.113 -73.012 104.123 2.044 104.611 -46.002 -64.076 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -63.49 -29.7 70.94 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 114.289 -1.323 . . . . 64.91 113.66 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 33.1 m-85 -118.94 22.93 11.69 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 118.858 0.753 . . . . 31.12 110.391 177.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.94 -168.96 54.72 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 120.969 -1.082 . . . . 10.34 112.328 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.1 153.48 21.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 121.403 -1.057 . . . . 12.07 111.576 -171.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 31.5 ttmt -75.43 137.41 40.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.059 0.933 . . . . 57.21 109.928 174.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -103.84 141.18 36.58 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 118.207 -0.901 . . . . 18.35 110.682 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -81.84 -174.94 5.32 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.242 2.214 . . . . 10.54 109.044 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.4 mp0 -70.95 -9.15 57.35 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 114.458 1.281 . . . . 14.16 114.458 -173.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -99.92 -0.66 39.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.163 0.982 . . . . 27.19 112.091 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.01 -1.67 65.38 Favored Glycine 0 C--O 1.267 2.188 0 C-N-CA 120.01 -1.09 . . . . 10.63 114.679 -176.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.2 m -83.32 148.76 27.16 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 119.43 1.615 . . . . 9.57 111.661 -175.213 -51.653 -41.05 -82.317 104.748 2.048 105.006 -64.619 -57.097 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 38' ' ' LYS 0.257 45.1 mp0 -106.16 62.6 0.65 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.762 1.268 . . . . 20.68 111.975 -177.081 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -153.32 129.24 5.24 Favored Pre-proline 0 C--O 1.21 -0.996 0 O-C-N 119.471 -2.018 . . . . 54.94 108.806 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -63.66 158.8 67.16 Favored 'Cis proline' 0 C--N 1.304 -1.784 0 O-C-N 117.679 -1.8 . . . . 24.27 112.113 -9.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.5 m -67.73 122.37 17.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 125.234 1.584 . . . . 14.49 109.575 -177.069 -59.257 -82.231 -84.538 103.976 2.027 102.06 -60.651 -67.676 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -149.35 153.23 37.12 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.944 -1.132 . . . . 59.55 107.944 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.84 136.92 38.15 Favored 'General case' 0 C--O 1.263 1.802 0 CA-C-N 119.605 1.093 . . . . 16.38 109.023 177.099 -64.076 -46.002 -73.012 104.611 2.044 104.123 -80.113 -60.913 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 146.14 54.54 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 125.056 1.472 . . . . 15.7 112.535 174.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -68.29 -29.73 68.57 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 114.463 -2.684 . . . . 56.65 111.716 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 130.325 3.45 . . . . 65.86 115.145 -175.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . 0.55 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.655 0 CA-C-O 114.986 -3.119 . . . . 68.79 110.27 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -78.51 149.69 33.07 Favored 'General case' 0 N--CA 1.472 0.636 1 CA-C-O 130.837 5.113 . . . . 41.83 113.489 -178.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 143' ' ' HOH . 2.9 p -82.04 -175.89 5.86 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 116.587 -3.821 . . . . 33.89 106.507 167.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.777 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 42.9 t -108.4 101.85 11.0 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-O 116.778 -1.582 . . . . 28.4 106.851 178.445 -176.656 82.326 86.605 104.799 2.041 100.558 70.221 -171.369 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.47 30.32 55.38 Favored Glycine 0 N--CA 1.447 -0.604 0 O-C-N 126.144 2.152 . . . . 49.45 110.724 -173.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 130' ' ' HOH . . . 88.46 1.4 81.06 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 121.202 2.501 . . . . 40.24 116.769 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.777 ' HG3' ' O ' ' A' ' 6' ' ' CYS . 72.4 mm-40 -123.99 158.91 30.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.561 1.144 . . . . 39.16 108.799 -175.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.6 m -96.75 124.48 40.74 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 108.312 -0.996 . . . . 23.51 108.312 171.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.96 142.4 38.36 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.576 -1.268 . . . . 15.18 107.576 177.379 -59.004 -26.261 -91.411 106.761 2.026 104.751 -62.917 -63.757 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 p -75.63 173.52 10.93 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 123.208 1.48 . . . . 11.04 110.75 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -31.52 68.25 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 123.647 1.689 . . . . 13.29 114.13 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.5 -17.79 61.72 Favored 'General case' 0 C--N 1.308 -1.224 1 O-C-N 116.05 -4.156 . . . . 10.73 114.767 175.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -104.98 162.21 13.54 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 123.764 1.745 . . . . 12.87 110.183 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 p -132.14 150.68 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 106.105 -1.813 . . . . 20.92 106.105 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.7 t -93.07 111.31 22.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 117.832 -1.08 . . . . 18.92 109.947 176.712 -171.369 70.221 86.605 100.558 2.041 104.799 82.326 -176.656 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -124.9 128.47 48.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 126.081 2.113 . . . . 18.99 107.757 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.3 mttt 49.2 40.65 18.34 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.652 1.22 . . . . 32.42 109.972 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.11 21.26 79.25 Favored Glycine 0 C--O 1.243 0.694 0 O-C-N 127.239 2.837 . . . . 27.31 116.512 172.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . . . -133.1 145.35 50.64 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.218 -0.593 . . . . 28.04 109.736 170.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.9 m -76.54 124.69 27.99 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 120.255 -0.578 . . . . 14.23 110.094 168.708 -63.757 -62.917 -91.411 104.751 2.026 106.761 -26.261 -59.004 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.52 155.67 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 CA-C-N 114.861 -1.063 . . . . 14.55 109.5 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.26 137.21 57.42 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 118.25 -1.38 . . . . 10.7 109.182 176.374 -57.097 -64.619 -82.317 105.006 2.048 104.748 -41.05 -51.653 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -68.96 172.08 7.16 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 117.497 -1.681 . . . . 26.49 109.517 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 152.36 22.93 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.207 -0.906 . . . . 22.72 109.25 176.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.8 t -108.55 125.24 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.455 -1.248 . . . . 15.07 110.803 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -139.15 100.45 4.02 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 126.417 2.323 . . . . 29.09 106.791 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.4 m -126.45 131.16 51.75 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.843 1.964 . . . . 13.03 108.677 178.992 -67.676 -60.651 -84.538 102.06 2.027 103.976 -82.231 -59.257 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -84.43 -30.43 25.32 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.271 -0.877 . . . . 35.17 112.405 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.95 142.94 13.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 C-N-CA 118.281 -1.368 . . . . 11.2 111.948 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -108.67 116.73 32.54 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 113.825 -1.534 . . . . 31.63 108.127 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.4 m -122.29 137.63 54.78 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 123.025 1.393 . . . . 11.63 112.203 -168.312 -60.913 -80.113 -73.012 104.123 2.044 104.611 -46.002 -64.076 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -63.49 -29.7 70.94 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 114.289 -1.323 . . . . 64.91 113.66 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 33.1 m-85 -118.94 22.93 11.69 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 118.858 0.753 . . . . 31.12 110.391 177.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.94 -168.96 54.72 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 120.969 -1.082 . . . . 10.34 112.328 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.1 153.48 21.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 121.403 -1.057 . . . . 12.07 111.576 -171.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 31.5 ttmt -75.43 137.41 40.96 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 122.059 0.933 . . . . 57.21 109.928 174.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -103.84 141.18 36.58 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-O 118.207 -0.901 . . . . 18.35 110.682 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -81.84 -174.94 5.32 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.242 2.214 . . . . 10.54 109.044 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.4 mp0 -70.95 -9.15 57.35 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 114.458 1.281 . . . . 14.16 114.458 -173.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -99.92 -0.66 39.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.163 0.982 . . . . 27.19 112.091 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.01 -1.67 65.38 Favored Glycine 0 C--O 1.267 2.188 0 C-N-CA 120.01 -1.09 . . . . 10.63 114.679 -176.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.2 m -83.32 148.76 27.16 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 119.43 1.615 . . . . 9.57 111.661 -175.213 -51.653 -41.05 -82.317 104.748 2.048 105.006 -64.619 -57.097 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 38' ' ' LYS 0.257 45.1 mp0 -106.16 62.6 0.65 Allowed 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.762 1.268 . . . . 20.68 111.975 -177.081 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -153.32 129.24 5.24 Favored Pre-proline 0 C--O 1.21 -0.996 0 O-C-N 119.471 -2.018 . . . . 54.94 108.806 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -63.66 158.8 67.16 Favored 'Cis proline' 0 C--N 1.304 -1.784 0 O-C-N 117.679 -1.8 . . . . 24.27 112.113 -9.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.5 m -67.73 122.37 17.95 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 125.234 1.584 . . . . 14.49 109.575 -177.069 -59.257 -82.231 -84.538 103.976 2.027 102.06 -60.651 -67.676 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -149.35 153.23 37.12 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.944 -1.132 . . . . 59.55 107.944 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.84 136.92 38.15 Favored 'General case' 0 C--O 1.263 1.802 0 CA-C-N 119.605 1.093 . . . . 16.38 109.023 177.099 -64.076 -46.002 -73.012 104.611 2.044 104.123 -80.113 -60.913 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 146.14 54.54 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 125.056 1.472 . . . . 15.7 112.535 174.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -68.29 -29.73 68.57 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 114.463 -2.684 . . . . 56.65 111.716 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 130.325 3.45 . . . . 65.86 115.145 -175.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . 0.55 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_