data_5nvg_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 5nvg _Structure_validation_residue.Date_analyzed 2017-05-26 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.535 3.784 0 CA-C-O 124.675 2.179 . . . . 24.629999999999999 106.618 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' A' ' 205' ' ' HOH . 25.0 tt0 -89.05 137.37 32.38 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 118.906 -2.371 . . . . 26.969999999999999 108.261 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.4 166.03 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-O 122.749 1.261 . . . . 10.619999999999999 108.013 166.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -115.83 146.29 42.11 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 111.961 -2.381 . . . . 21.100000000000001 106.635 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.13 114.1 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.029 0 N-CA-C 105.229 -2.138 . . . . 15.31 105.229 175.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -100.68 127.41 47.1 Favored 'General case' 0 C--O 1.252 1.224 0 N-CA-C 103.543 -2.762 . . . . 33.82 103.543 -175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -77.81 166.62 22.7 Favored 'General case' 1 C--O 1.149 -4.234 0 C-N-CA 118.258 -1.377 . . . . 23.140000000000001 108.476 168.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 253' ' ' HOH . 3.4 mp -87.87 24.13 1.85 Allowed 'General case' 1 N--CA 1.546 4.369 0 O-C-N 118.269 -2.769 . . . . 43.530000000000001 113.419 174.294 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -140.57 16.83 2.36 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 124.756 2.217 . . . . 40.990000000000002 110.798 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.78 0.39 25.86 Favored Glycine 0 C--O 1.201 -1.93 0 N-CA-C 120.211 2.844 . . . . 52.439999999999998 120.211 162.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 206' ' ' HOH . 66.9 tttt -100.83 138.79 37.41 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-N 118.859 1.33 . . . . 51.159999999999997 109.65 -173.301 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TPO . . . . . 1.078 ' O1P' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.19 138.95 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 123.114 1.435 . . . . 15.949999999999999 108.556 161.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.5 m -107.33 145.26 33.05 Favored 'General case' 1 N--CA 1.367 -4.577 0 CA-C-N 111.848 -2.433 . . . . 26.73 108.639 -177.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -132.62 145.56 51.19 Favored 'General case' 1 C--O 1.14 -4.662 0 C-N-CA 127.275 2.23 . . . . 16.93 113.638 173.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -103.03 125.73 49.9 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.816 -1.55 . . . . 80.849999999999994 106.816 165.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.5 170.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.789 0 N-CA-C 106.312 -1.736 . . . . 16.350000000000001 106.312 -172.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -114.35 155.35 45.89 Favored Pre-proline 0 C--O 1.265 1.912 0 CA-C-N 111.42 -2.627 . . . . 41.149999999999999 112.529 167.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -59.56 -24.68 76.11 Favored 'Trans proline' 0 CA--C 1.452 -3.578 0 C-N-CA 116.306 -1.996 . . . . 15.890000000000001 117.07 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 p -80.07 -6.09 57.03 Favored 'General case' 0 CA--C 1.466 -2.26 0 O-C-N 119.46 -2.025 . . . . 14.710000000000001 114.424 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.86 136.81 58.05 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 119.171 0.896 . . . . 24.07 109.341 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -71.91 161.97 30.14 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-O 121.439 0.637 . . . . 9.9700000000000006 110.39 168.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.1 -39.81 79.38 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 C-N-CA 119.481 -0.887 . . . . 14.390000000000001 109.605 171.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -59.67 -38.11 80.61 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 120.16 1.346 . . . . 38.829999999999998 112.522 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.97 -29.97 68.3 Favored 'General case' 0 C--O 1.199 -1.572 0 C-N-CA 120.476 -0.49 . . . . 10.84 112.187 173.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.6 -43.17 87.14 Favored 'Isoleucine or valine' 0 C--O 1.26 1.64 0 CA-C-N 116.258 -0.428 . . . . 8.8900000000000006 110.5 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.0 -39.34 85.46 Favored 'General case' 0 C--O 1.279 2.639 0 C-N-CA 119.572 -0.851 . . . . 17.809999999999999 110.914 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.84 92.76 Favored 'General case' 0 CA--C 1.485 -1.526 0 O-C-N 120.993 -1.067 . . . . 10.48 111.869 177.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . 0.681 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 19.2 mttt -65.91 -38.68 89.33 Favored 'General case' 0 C--O 1.267 2.016 0 O-C-N 119.575 -1.953 . . . . 33.439999999999998 111.416 175.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.24 -39.37 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.114 0 O-C-N 118.773 -2.455 . . . . 10.279999999999999 111.514 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.4 -35.69 74.43 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-O 118.008 -0.996 . . . . 12.19 110.888 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.35 -36.26 73.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 124.031 0.832 . . . . 35.270000000000003 112.561 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -90.86 -30.44 16.94 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.827 1.418 . . . . 22.66 114.827 179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -116.42 -9.32 11.49 Favored 'General case' 0 C--N 1.28 -2.425 0 O-C-N 119.534 -1.979 . . . . 48.829999999999998 115.455 -169.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.19 26.34 63.59 Favored Glycine 0 N--CA 1.493 2.477 0 O-C-N 124.464 1.102 . . . . 13.220000000000001 112.611 171.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.63 126.16 92.47 Favored Pre-proline 0 N--CA 1.437 -1.083 0 N-CA-C 105.478 -2.045 . . . . 11.800000000000001 105.478 -167.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.52 159.3 53.3 Favored 'Trans proline' 2 C--O 1.354 6.279 0 O-C-N 117.488 -1.901 . . . . 12.619999999999999 112.329 -174.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -55.28 -34.92 90.11 Favored 'Trans proline' 0 C--N 1.265 -3.829 0 C-N-CA 122.435 2.09 . . . . 15.779999999999999 114.75 -176.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.463 24.6 p30 -77.36 -7.04 55.44 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 115.513 -2.475 . . . . 25.289999999999999 112.245 -171.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.96 8.48 44.36 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 119.723 -0.791 . . . . 21.68 109.737 175.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -109.42 141.21 42.13 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 125.985 1.714 . . . . 7.4699999999999998 110.494 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.6 mmt-85 -129.23 131.29 47.03 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 123.589 1.661 . . . . 26.52 107.81 163.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -103.11 145.86 29.27 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 114.462 -1.245 . . . . 10.08 109.589 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -134.24 139.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 O-C-N 127.558 3.036 . . . . 11.630000000000001 108.225 -170.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -141.94 133.3 26.53 Favored 'General case' 0 CA--C 1.466 -2.252 0 N-CA-C 106.524 -1.658 . . . . 10.539999999999999 106.524 171.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.84 43.75 31.13 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 111.424 -2.625 . . . . 17.379999999999999 110.407 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.45 88.76 Favored Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 118.445 2.138 . . . . 11.960000000000001 118.445 174.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -119.16 139.03 52.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 120.378 2.089 . . . . 12.59 109.118 -172.388 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -75.53 137.83 41.12 Favored 'General case' 1 C--N 1.231 -4.581 0 CA-C-O 123.337 1.541 . . . . 18.670000000000002 110.438 173.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.64 147.0 24.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.214 -0.903 . . . . 13.18 113.182 -174.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -95.18 137.86 33.66 Favored 'General case' 0 CA--C 1.608 3.176 0 C-N-CA 126.718 2.007 . . . . 43.079999999999998 108.785 -174.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -49.54 -44.02 46.19 Favored 'General case' 0 C--O 1.271 2.228 0 N-CA-C 114.214 1.19 . . . . 23.07 114.214 -174.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.27 -9.96 66.56 Favored Glycine 0 C--O 1.199 -2.068 0 O-C-N 118.595 -2.566 . . . . 10.869999999999999 116.674 -170.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -74.59 151.86 39.34 Favored 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 108.716 -0.846 . . . . 23.129999999999999 108.716 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 p -90.36 164.71 14.22 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-O 123.7 1.714 . . . . 11.92 112.305 171.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -56.83 -44.01 81.63 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.125 -1.852 . . . . 9.3499999999999996 110.828 175.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t -70.68 -25.49 63.01 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 122.513 1.149 . . . . 16.699999999999999 109.99 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.94 -26.42 36.15 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 119.017 -2.302 . . . . 16.73 115.111 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -101.15 6.04 43.0 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 114.437 1.273 . . . . 17.710000000000001 114.437 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 65.34 27.07 12.03 Favored 'General case' 1 N--CA 1.552 4.663 0 CA-C-O 123.113 1.435 . . . . 14.33 114.337 -168.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.94 125.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 N-CA-C 104.925 -2.25 . . . . 11.81 104.925 168.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -135.52 -169.19 2.34 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 126.12 2.138 . . . . 27.91 110.316 -172.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -56.96 132.63 53.34 Favored 'General case' 0 N--CA 1.387 -3.585 0 CA-C-O 125.048 2.356 . . . . 28.109999999999999 109.1 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 68.36 11.99 8.56 Favored 'General case' 0 CA--C 1.459 -2.549 0 CA-C-N 112.058 -2.337 . . . . 25.890000000000001 115.135 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -63.8 150.21 45.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.097 -1.002 . . . . 9.7799999999999994 110.12 172.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 m -110.99 122.21 47.31 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 112.275 -2.239 . . . . 22.329999999999998 108.679 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.8 162.23 13.22 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.557 -0.905 . . . . 12.84 108.557 170.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -120.51 152.75 37.62 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 114.205 -1.362 . . . . 21.640000000000001 108.404 171.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -122.66 127.64 49.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.48 -1.304 . . . . 12.67 107.48 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 p -125.69 156.46 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 126.534 2.397 . . . . 14.529999999999999 107.783 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.67 145.58 25.16 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 115.187 -0.915 . . . . 26.84 110.902 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -124.55 109.27 13.01 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 104.447 -2.427 . . . . 61.420000000000002 104.447 174.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -119.83 106.95 12.58 Favored 'General case' 1 C--O 1.129 -5.273 0 CA-C-N 114.01 -1.45 . . . . 51.219999999999999 110.156 -172.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 117.28 3.68 Favored 'General case' 0 C--O 1.263 1.791 0 N-CA-C 104.325 -2.472 . . . . 118.31 104.325 -178.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.94 18.1 38.92 Favored Glycine 0 CA--C 1.564 3.116 0 N-CA-C 120.565 2.986 . . . . 53.189999999999998 120.565 -174.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.301 4.301 0 O-C-N 119.419 -2.224 . . . . 52.390000000000001 110.204 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 1.078 ' O ' ' O1P' ' A' ' 12' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.681 ' O ' ' NZ ' ' A' ' 29' ' ' 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 . . . . . 0.581 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . 0.549 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.535 3.784 0 CA-C-O 124.675 2.179 . . . . 24.629999999999999 106.618 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 205' ' ' HOH . 25.0 tt0 -89.05 137.37 32.38 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 118.906 -2.371 . . . . 26.969999999999999 108.261 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.4 166.03 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-O 122.749 1.261 . . . . 10.619999999999999 108.013 166.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -115.83 146.29 42.11 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 111.961 -2.381 . . . . 21.100000000000001 106.635 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.13 114.1 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.029 0 N-CA-C 105.229 -2.138 . . . . 15.31 105.229 175.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE2' ' OG1' ' A' ' 12' ' ' TPO . 24.3 mtpp -100.68 127.41 47.1 Favored 'General case' 0 C--O 1.252 1.224 0 N-CA-C 103.543 -2.762 . . . . 33.82 103.543 -175.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -77.81 166.62 22.7 Favored 'General case' 1 C--O 1.149 -4.234 0 C-N-CA 118.258 -1.377 . . . . 23.140000000000001 108.476 168.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 253' ' ' HOH . 3.4 mp -87.87 24.13 1.85 Allowed 'General case' 1 N--CA 1.546 4.369 0 O-C-N 118.269 -2.769 . . . . 43.530000000000001 113.419 174.294 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -140.57 16.83 2.36 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 124.756 2.217 . . . . 40.990000000000002 110.798 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.78 0.39 25.86 Favored Glycine 0 C--O 1.201 -1.93 0 N-CA-C 120.211 2.844 . . . . 52.439999999999998 120.211 162.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 206' ' ' HOH . 66.9 tttt -100.83 138.79 37.41 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-N 118.859 1.33 . . . . 51.159999999999997 109.65 -173.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TPO . . . . . 1.078 ' O1P' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.19 138.95 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 123.114 1.435 . . . . 22.879999999999999 108.556 161.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.5 m -107.33 145.26 33.05 Favored 'General case' 1 N--CA 1.367 -4.577 0 CA-C-N 111.848 -2.433 . . . . 26.73 108.639 -177.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -132.62 145.56 51.19 Favored 'General case' 1 C--O 1.14 -4.662 0 C-N-CA 127.275 2.23 . . . . 16.93 113.638 173.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -103.03 125.73 49.9 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.816 -1.55 . . . . 80.849999999999994 106.816 165.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.5 170.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.789 0 N-CA-C 106.312 -1.736 . . . . 16.350000000000001 106.312 -172.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 202' ' ' HOH . 4.4 mt-10 -114.35 155.35 45.89 Favored Pre-proline 0 C--O 1.265 1.912 0 CA-C-N 111.42 -2.627 . . . . 41.149999999999999 112.529 167.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -59.56 -24.68 76.11 Favored 'Trans proline' 0 CA--C 1.452 -3.578 0 C-N-CA 116.306 -1.996 . . . . 15.890000000000001 117.07 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . 0.622 ' HA ' ' H41' ' A' ' 102' ' ' PEG . 63.9 p -80.07 -6.09 57.03 Favored 'General case' 0 CA--C 1.466 -2.26 0 O-C-N 119.46 -2.025 . . . . 14.710000000000001 114.424 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.86 136.81 58.05 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 119.171 0.896 . . . . 24.07 109.341 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -71.91 161.97 30.14 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-O 121.439 0.637 . . . . 9.9700000000000006 110.39 168.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.1 -39.81 79.38 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 C-N-CA 119.481 -0.887 . . . . 14.390000000000001 109.605 171.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -59.67 -38.11 80.61 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 120.16 1.346 . . . . 38.829999999999998 112.522 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.97 -29.97 68.3 Favored 'General case' 0 C--O 1.199 -1.572 0 C-N-CA 120.476 -0.49 . . . . 13.960000000000001 112.187 173.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.6 -43.17 87.14 Favored 'Isoleucine or valine' 0 C--O 1.26 1.64 0 CA-C-N 116.258 -0.428 . . . . 8.8900000000000006 110.5 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.0 -39.34 85.46 Favored 'General case' 0 C--O 1.279 2.639 0 C-N-CA 119.572 -0.851 . . . . 17.809999999999999 110.914 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.84 92.76 Favored 'General case' 0 CA--C 1.485 -1.526 0 O-C-N 120.993 -1.067 . . . . 10.48 111.869 177.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 19.2 mttt -65.91 -38.68 89.33 Favored 'General case' 0 C--O 1.267 2.016 0 O-C-N 119.575 -1.953 . . . . 33.439999999999998 111.416 175.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.24 -39.37 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.114 0 O-C-N 118.773 -2.455 . . . . 10.279999999999999 111.514 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.4 -35.69 74.43 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-O 118.008 -0.996 . . . . 12.19 110.888 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.35 -36.26 73.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 124.031 0.832 . . . . 35.270000000000003 112.561 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -90.86 -30.44 16.94 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.827 1.418 . . . . 22.66 114.827 179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -116.42 -9.32 11.49 Favored 'General case' 0 C--N 1.28 -2.425 0 O-C-N 119.534 -1.979 . . . . 48.829999999999998 115.455 -169.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.19 26.34 63.59 Favored Glycine 0 N--CA 1.493 2.477 0 O-C-N 124.464 1.102 . . . . 18.399999999999999 112.611 171.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . 0.527 HD13 ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -68.63 126.16 92.47 Favored Pre-proline 0 N--CA 1.437 -1.083 0 N-CA-C 105.478 -2.045 . . . . 24.649999999999999 105.478 -167.996 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD2' HG12 ' A' ' 36' ' ' ILE . 40.6 Cg_endo -70.52 159.3 53.3 Favored 'Trans proline' 2 C--O 1.354 6.279 0 O-C-N 117.488 -1.901 . . . . 12.619999999999999 112.329 -174.358 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -55.28 -34.92 90.11 Favored 'Trans proline' 0 C--N 1.265 -3.829 0 C-N-CA 122.435 2.09 . . . . 15.779999999999999 114.75 -176.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.463 24.6 p30 -77.36 -7.04 55.44 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 115.513 -2.475 . . . . 25.289999999999999 112.245 -171.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -96.96 8.48 44.36 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 119.723 -0.791 . . . . 21.68 109.737 175.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' HG3' HD13 ' A' ' 36' ' ' ILE . 77.8 mt-30 -109.42 141.21 42.13 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 125.985 1.714 . . . . 7.4699999999999998 110.494 179.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.6 mmt-85 -129.23 131.29 47.03 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 123.589 1.661 . . . . 26.52 107.81 163.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -103.11 145.86 29.27 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 114.462 -1.245 . . . . 10.08 109.589 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -134.24 139.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 O-C-N 127.558 3.036 . . . . 11.630000000000001 108.225 -170.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -141.94 133.3 26.53 Favored 'General case' 0 CA--C 1.466 -2.252 0 N-CA-C 106.524 -1.658 . . . . 10.539999999999999 106.524 171.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.84 43.75 31.13 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 111.424 -2.625 . . . . 17.379999999999999 110.407 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.45 88.76 Favored Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 118.445 2.138 . . . . 11.960000000000001 118.445 174.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -119.16 139.03 52.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 120.378 2.089 . . . . 29.710000000000001 109.118 -172.388 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -75.53 137.83 41.12 Favored 'General case' 1 C--N 1.231 -4.581 0 CA-C-O 123.337 1.541 . . . . 18.670000000000002 110.438 173.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.64 147.0 24.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.214 -0.903 . . . . 13.18 113.182 -174.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -95.18 137.86 33.66 Favored 'General case' 0 CA--C 1.608 3.176 0 C-N-CA 126.718 2.007 . . . . 43.079999999999998 108.785 -174.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -49.54 -44.02 46.19 Favored 'General case' 0 C--O 1.271 2.228 0 N-CA-C 114.214 1.19 . . . . 23.07 114.214 -174.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.27 -9.96 66.56 Favored Glycine 0 C--O 1.199 -2.068 0 O-C-N 118.595 -2.566 . . . . 10.869999999999999 116.674 -170.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -74.59 151.86 39.34 Favored 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 108.716 -0.846 . . . . 23.129999999999999 108.716 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 p -90.36 164.71 14.22 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-O 123.7 1.714 . . . . 11.92 112.305 171.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -56.83 -44.01 81.63 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.125 -1.852 . . . . 9.3499999999999996 110.828 175.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t -70.68 -25.49 63.01 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 122.513 1.149 . . . . 16.699999999999999 109.99 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.94 -26.42 36.15 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 119.017 -2.302 . . . . 16.73 115.111 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -101.15 6.04 43.0 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 114.437 1.273 . . . . 17.710000000000001 114.437 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 207' ' ' HOH . 78.1 m-20 65.34 27.07 12.03 Favored 'General case' 1 N--CA 1.552 4.663 0 CA-C-O 123.113 1.435 . . . . 27.239999999999998 114.337 -168.198 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.94 125.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 N-CA-C 104.925 -2.25 . . . . 11.81 104.925 168.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -135.52 -169.19 2.34 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 126.12 2.138 . . . . 27.91 110.316 -172.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -56.96 132.63 53.34 Favored 'General case' 0 N--CA 1.387 -3.585 0 CA-C-O 125.048 2.356 . . . . 28.109999999999999 109.1 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 68.36 11.99 8.56 Favored 'General case' 0 CA--C 1.459 -2.549 0 CA-C-N 112.058 -2.337 . . . . 25.890000000000001 115.135 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -63.8 150.21 45.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.097 -1.002 . . . . 9.7799999999999994 110.12 172.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 m -110.99 122.21 47.31 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 112.275 -2.239 . . . . 22.329999999999998 108.679 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.8 162.23 13.22 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.557 -0.905 . . . . 12.84 108.557 170.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 71.1 m-70 -120.51 152.75 37.62 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 114.205 -1.362 . . . . 21.640000000000001 108.404 171.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -122.66 127.64 49.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.48 -1.304 . . . . 12.67 107.48 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . 0.525 ' CG1' HD13 ' A' ' 8' ' ' LEU . 7.9 p -125.69 156.46 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 126.534 2.397 . . . . 14.529999999999999 107.783 169.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 36' ' ' ILE . 85.5 mt -95.67 145.58 25.16 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 115.187 -0.915 . . . . 26.84 110.902 -179.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -124.55 109.27 13.01 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 104.447 -2.427 . . . . 61.420000000000002 104.447 174.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -119.83 106.95 12.58 Favored 'General case' 1 C--O 1.129 -5.273 0 CA-C-N 114.01 -1.45 . . . . 51.219999999999999 110.156 -172.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 117.28 3.68 Favored 'General case' 0 C--O 1.263 1.791 0 N-CA-C 104.325 -2.472 . . . . 118.31 104.325 -178.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.94 18.1 38.92 Favored Glycine 0 CA--C 1.564 3.116 0 N-CA-C 120.565 2.986 . . . . 53.189999999999998 120.565 -174.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 236' ' ' HOH . . . . . . . . 1 C--O 1.301 4.301 0 O-C-N 119.419 -2.224 . . . . 52.390000000000001 110.204 -176.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PEG . . . . . 0.622 ' H41' ' HA ' ' A' ' 20' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 1.078 ' O ' ' O1P' ' A' ' 12' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.592 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.528 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . 0.549 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . 0.516 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.405 ' O ' ' HA2' ' A' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . 0.585 ' O ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.535 3.784 0 CA-C-O 124.675 2.179 . . . . 24.629999999999999 106.618 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 205' ' ' HOH . 25.0 tt0 -89.05 137.37 32.38 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 118.906 -2.371 . . . . 26.969999999999999 108.261 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.4 166.03 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-O 122.749 1.261 . . . . 10.619999999999999 108.013 166.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -115.83 146.29 42.11 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 111.961 -2.381 . . . . 21.100000000000001 106.635 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -126.13 114.1 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.029 0 N-CA-C 105.229 -2.138 . . . . 15.31 105.229 175.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE2' ' OG1' ' A' ' 12' ' ' TPO . 24.3 mtpp -100.68 127.41 47.1 Favored 'General case' 0 C--O 1.252 1.224 0 N-CA-C 103.543 -2.762 . . . . 33.82 103.543 -175.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -77.81 166.62 22.7 Favored 'General case' 1 C--O 1.149 -4.234 0 C-N-CA 118.258 -1.377 . . . . 23.140000000000001 108.476 168.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 253' ' ' HOH . 3.4 mp -87.87 24.13 1.85 Allowed 'General case' 1 N--CA 1.546 4.369 0 O-C-N 118.269 -2.769 . . . . 43.530000000000001 113.419 174.294 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.1 p -140.57 16.83 2.36 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 124.756 2.217 . . . . 40.990000000000002 110.798 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.78 0.39 25.86 Favored Glycine 0 C--O 1.201 -1.93 0 N-CA-C 120.211 2.844 . . . . 52.439999999999998 120.211 162.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 206' ' ' HOH . 66.9 tttt -100.83 138.79 37.41 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-N 118.859 1.33 . . . . 51.159999999999997 109.65 -173.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TPO . . . . . 1.078 ' O1P' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.19 138.95 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 123.114 1.435 . . . . 22.879999999999999 108.556 161.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.5 m -107.33 145.26 33.05 Favored 'General case' 1 N--CA 1.367 -4.577 0 CA-C-N 111.848 -2.433 . . . . 26.73 108.639 -177.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -132.62 145.56 51.19 Favored 'General case' 1 C--O 1.14 -4.662 0 C-N-CA 127.275 2.23 . . . . 16.93 113.638 173.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -103.03 125.73 49.9 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.816 -1.55 . . . . 80.849999999999994 106.816 165.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.5 170.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.789 0 N-CA-C 106.312 -1.736 . . . . 16.350000000000001 106.312 -172.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 202' ' ' HOH . 4.4 mt-10 -114.35 155.35 45.89 Favored Pre-proline 0 C--O 1.265 1.912 0 CA-C-N 111.42 -2.627 . . . . 41.149999999999999 112.529 167.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -59.56 -24.68 76.11 Favored 'Trans proline' 0 CA--C 1.452 -3.578 0 C-N-CA 116.306 -1.996 . . . . 15.890000000000001 117.07 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . 0.622 ' HA ' ' H41' ' A' ' 102' ' ' PEG . 63.9 p -80.07 -6.09 57.03 Favored 'General case' 0 CA--C 1.466 -2.26 0 O-C-N 119.46 -2.025 . . . . 14.710000000000001 114.424 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.86 136.81 58.05 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 119.171 0.896 . . . . 24.07 109.341 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -71.91 161.97 30.14 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-O 121.439 0.637 . . . . 9.9700000000000006 110.39 168.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.1 -39.81 79.38 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 C-N-CA 119.481 -0.887 . . . . 14.390000000000001 109.605 171.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -59.67 -38.11 80.61 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 120.16 1.346 . . . . 38.829999999999998 112.522 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.97 -29.97 68.3 Favored 'General case' 0 C--O 1.199 -1.572 0 C-N-CA 120.476 -0.49 . . . . 13.960000000000001 112.187 173.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.6 -43.17 87.14 Favored 'Isoleucine or valine' 0 C--O 1.26 1.64 0 CA-C-N 116.258 -0.428 . . . . 8.8900000000000006 110.5 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.0 -39.34 85.46 Favored 'General case' 0 C--O 1.279 2.639 0 C-N-CA 119.572 -0.851 . . . . 17.809999999999999 110.914 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.84 92.76 Favored 'General case' 0 CA--C 1.485 -1.526 0 O-C-N 120.993 -1.067 . . . . 10.48 111.869 177.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 19.2 mttt -65.91 -38.68 89.33 Favored 'General case' 0 C--O 1.267 2.016 0 O-C-N 119.575 -1.953 . . . . 33.439999999999998 111.416 175.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.24 -39.37 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.114 0 O-C-N 118.773 -2.455 . . . . 10.279999999999999 111.514 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.4 -35.69 74.43 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-O 118.008 -0.996 . . . . 12.19 110.888 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.35 -36.26 73.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 124.031 0.832 . . . . 35.270000000000003 112.561 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -90.86 -30.44 16.94 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.827 1.418 . . . . 22.66 114.827 179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -116.42 -9.32 11.49 Favored 'General case' 0 C--N 1.28 -2.425 0 O-C-N 119.534 -1.979 . . . . 48.829999999999998 115.455 -169.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.19 26.34 63.59 Favored Glycine 0 N--CA 1.493 2.477 0 O-C-N 124.464 1.102 . . . . 18.399999999999999 112.611 171.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.527 HD13 ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -68.63 126.16 92.47 Favored Pre-proline 0 N--CA 1.437 -1.083 0 N-CA-C 105.478 -2.045 . . . . 24.649999999999999 105.478 -167.996 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD2' HG12 ' A' ' 36' ' ' ILE . 40.6 Cg_endo -70.52 159.3 53.3 Favored 'Trans proline' 2 C--O 1.354 6.279 0 O-C-N 117.488 -1.901 . . . . 12.619999999999999 112.329 -174.358 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -55.28 -34.92 90.11 Favored 'Trans proline' 0 C--N 1.265 -3.829 0 C-N-CA 122.435 2.09 . . . . 15.779999999999999 114.75 -176.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.463 24.6 p30 -77.36 -7.04 55.44 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 115.513 -2.475 . . . . 25.289999999999999 112.245 -171.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.96 8.48 44.36 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 119.723 -0.791 . . . . 21.68 109.737 175.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' HG3' HD13 ' A' ' 36' ' ' ILE . 77.8 mt-30 -109.42 141.21 42.13 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 125.985 1.714 . . . . 7.4699999999999998 110.494 179.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.6 mmt-85 -129.23 131.29 47.03 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 123.589 1.661 . . . . 26.52 107.81 163.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -103.11 145.86 29.27 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 114.462 -1.245 . . . . 10.08 109.589 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -134.24 139.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 O-C-N 127.558 3.036 . . . . 11.630000000000001 108.225 -170.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -141.94 133.3 26.53 Favored 'General case' 0 CA--C 1.466 -2.252 0 N-CA-C 106.524 -1.658 . . . . 10.539999999999999 106.524 171.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.84 43.75 31.13 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 111.424 -2.625 . . . . 17.379999999999999 110.407 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.45 88.76 Favored Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 118.445 2.138 . . . . 11.960000000000001 118.445 174.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -119.16 139.03 52.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 120.378 2.089 . . . . 29.710000000000001 109.118 -172.388 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -75.53 137.83 41.12 Favored 'General case' 1 C--N 1.231 -4.581 0 CA-C-O 123.337 1.541 . . . . 18.670000000000002 110.438 173.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.64 147.0 24.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.214 -0.903 . . . . 13.18 113.182 -174.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -95.18 137.86 33.66 Favored 'General case' 0 CA--C 1.608 3.176 0 C-N-CA 126.718 2.007 . . . . 43.079999999999998 108.785 -174.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -49.54 -44.02 46.19 Favored 'General case' 0 C--O 1.271 2.228 0 N-CA-C 114.214 1.19 . . . . 23.07 114.214 -174.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.27 -9.96 66.56 Favored Glycine 0 C--O 1.199 -2.068 0 O-C-N 118.595 -2.566 . . . . 10.869999999999999 116.674 -170.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -74.59 151.86 39.34 Favored 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 108.716 -0.846 . . . . 23.129999999999999 108.716 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 p -90.36 164.71 14.22 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-O 123.7 1.714 . . . . 11.92 112.305 171.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.1 mt -56.83 -44.01 81.63 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.125 -1.852 . . . . 9.3499999999999996 110.828 175.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t -70.68 -25.49 63.01 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 122.513 1.149 . . . . 16.699999999999999 109.99 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.94 -26.42 36.15 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 119.017 -2.302 . . . . 16.73 115.111 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -101.15 6.04 43.0 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 114.437 1.273 . . . . 17.710000000000001 114.437 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 65.34 27.07 12.03 Favored 'General case' 1 N--CA 1.552 4.663 0 CA-C-O 123.113 1.435 . . . . 27.239999999999998 114.337 -168.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.94 125.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.391 0 N-CA-C 104.925 -2.25 . . . . 11.81 104.925 168.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -135.52 -169.19 2.34 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 126.12 2.138 . . . . 27.91 110.316 -172.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -56.96 132.63 53.34 Favored 'General case' 0 N--CA 1.387 -3.585 0 CA-C-O 125.048 2.356 . . . . 28.109999999999999 109.1 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 68.36 11.99 8.56 Favored 'General case' 0 CA--C 1.459 -2.549 0 CA-C-N 112.058 -2.337 . . . . 25.890000000000001 115.135 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -63.8 150.21 45.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.097 -1.002 . . . . 9.7799999999999994 110.12 172.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 m -110.99 122.21 47.31 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 112.275 -2.239 . . . . 22.329999999999998 108.679 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.8 162.23 13.22 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.557 -0.905 . . . . 12.84 108.557 170.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 71.1 m-70 -120.51 152.75 37.62 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 114.205 -1.362 . . . . 21.640000000000001 108.404 171.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -122.66 127.64 49.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.48 -1.304 . . . . 12.67 107.48 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.525 ' CG1' HD13 ' A' ' 8' ' ' LEU . 7.9 p -125.69 156.46 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 126.534 2.397 . . . . 14.529999999999999 107.783 169.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 36' ' ' ILE . 85.5 mt -95.67 145.58 25.16 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 115.187 -0.915 . . . . 26.84 110.902 -179.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -124.55 109.27 13.01 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 104.447 -2.427 . . . . 61.420000000000002 104.447 174.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -119.83 106.95 12.58 Favored 'General case' 1 C--O 1.129 -5.273 0 CA-C-N 114.01 -1.45 . . . . 51.219999999999999 110.156 -172.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 117.28 3.68 Favored 'General case' 0 C--O 1.263 1.791 0 N-CA-C 104.325 -2.472 . . . . 118.31 104.325 -178.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.94 18.1 38.92 Favored Glycine 0 CA--C 1.564 3.116 0 N-CA-C 120.565 2.986 . . . . 53.189999999999998 120.565 -174.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 236' ' ' HOH . . . . . . . . 1 C--O 1.301 4.301 0 O-C-N 119.419 -2.224 . . . . 52.390000000000001 110.204 -176.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PEG . . . . . 0.622 ' H41' ' HA ' ' A' ' 20' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 1.078 ' O ' ' O1P' ' A' ' 12' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.592 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.528 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . 0.549 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.405 ' O ' ' HA2' ' A' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . 0.585 ' O ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_