data_5sur_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 5sur _Structure_validation_residue.Date_analyzed 2017-01-06 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' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.5 m -124.38 156.56 36.88 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 106.494 -1.669 . . . . 44.880000000000003 106.494 176.776 -71.621 95.572 -106.015 78.574 5.713 103.889 -107.576 -55.335 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.1 t -99.41 125.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.257 -1.386 . . . . 56.840000000000003 107.257 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -111.91 146.9 36.95 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.931 -0.557 . . . . 128.11000000000001 110.627 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 m -130.84 154.62 47.86 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.797 1.036 . . . . 47.57 113.797 -171.717 -46.456 145.525 -4.562 159.601 30.531 53.532 -30.401 -62.924 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -131.75 147.64 52.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.647 . . . . 77.219999999999999 109.573 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.909 . . . . 138.28 109.886 176.787 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.26 140.24 33.75 Favored 'General case' 0 C--N 1.37 1.481 0 CA-C-N 115.851 -0.613 . . . . 64.709999999999994 109.532 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mt -97.73 119.38 45.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 107.205 -1.406 . . . . 71.670000000000002 107.205 168.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.39 131.57 70.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 N-CA-C 108.204 -1.036 . . . . 134.02000000000001 108.204 -167.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.8 127.29 15.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 109.966 -1.254 . . . . 52.619999999999997 109.966 165.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.1 128.08 56.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 118.735 -0.65 . . . . 67.840000000000003 111.473 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 122.334 2.333 . . . . 49.869999999999997 109.056 -179.076 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 63.0 m -120.62 154.37 35.55 Favored 'General case' 0 C--N 1.378 1.837 0 CA-C-N 115.044 -0.98 . . . . 59.539999999999999 110.883 -179.368 -56.918 -100.341 42.247 19.048 27.156 76.845 49.105 -48.388 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.15 129.03 54.19 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 109.053 -0.721 . . . . 107.3 109.053 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -115.55 152.76 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.359 -0.608 . . . . 86.640000000000001 109.359 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' MEA . . . . . 0.403 ' O ' ' C1 ' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -136.81 147.87 46.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 50.149999999999999 111.334 -166.318 -55.335 -107.576 -106.015 103.889 5.713 78.574 95.572 -71.621 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -80.79 124.25 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.547 -1.206 . . . . 79.420000000000002 109.387 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t0 . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 107.72 -1.215 . . . . 79.010000000000005 107.72 176.19 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.45 140.01 49.82 Favored 'General case' 0 C--N 1.368 1.384 0 CA-C-N 115.063 -0.971 . . . . 79.819999999999993 109.347 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -90.57 122.61 42.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.198 -1.408 . . . . 68.569999999999993 107.198 170.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.65 162.97 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.243 -1.021 . . . . 75.790000000000006 108.243 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.13 141.7 21.72 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.193 -1.163 . . . . 53.939999999999998 110.193 171.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -131.87 132.34 43.57 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.015 0.746 . . . . 62.119999999999997 113.015 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ORN . . . . . 0.415 ' CB ' HD11 ' C' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 124.728 1.211 . . . . 100.17 109.779 179.57 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' CYS . . . . . . . . . . . . . 60.0 m -126.16 162.33 25.63 Favored 'General case' 0 C--N 1.371 1.536 0 CA-C-N 115.497 -0.774 . . . . 52.020000000000003 110.078 -178.439 -55.494 157.52 -21.149 33.689 11.83 141.484 92.303 -58.692 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.38 127.11 57.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.74 -0.837 . . . . 167.56999999999999 108.74 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -118.07 145.14 45.04 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.433 -0.349 . . . . 77.870000000000005 110.217 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.7 162.96 30.87 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.076 0.769 . . . . 59.549999999999997 113.076 -170.986 -58.692 92.303 -21.149 141.484 11.83 33.689 157.52 -55.494 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -143.3 151.08 40.1 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.159 -0.928 . . . . 115.90000000000001 109.061 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.362 -0.835 . . . . 99.739999999999995 110.099 -179.963 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.83 137.29 57.11 Favored 'General case' 0 C--N 1.371 1.537 0 CA-C-N 115.443 -0.799 . . . . 85.129999999999995 111.059 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' B' ' 15' ' ' ORN . 4.9 mt -109.96 120.81 61.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.76 -1.571 . . . . 113.23999999999999 106.76 169.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.98 145.61 34.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.542 -0.91 . . . . 151.19999999999999 108.542 -170.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.21 122.37 6.48 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.943 -1.263 . . . . 86.239999999999995 109.943 167.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -106.91 131.16 54.31 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 109.497 -0.557 . . . . 128.66999999999999 109.497 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 120.931 1.696 . . . . 93.620000000000005 109.695 -179.477 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -117.2 154.17 31.6 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 115.471 -0.786 . . . . 60.259999999999998 110.397 179.941 -62.924 -30.401 -4.562 53.532 30.531 159.601 145.525 -46.456 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 94.8 t -100.22 124.83 53.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.506 -0.924 . . . . 68.969999999999999 108.506 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -115.1 144.2 44.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 119.15000000000001 109.46 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.71 162.04 32.45 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.643 -0.708 . . . . 53.640000000000001 112.637 -173.176 -48.388 49.105 42.247 76.845 27.156 19.048 -100.341 -56.918 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -144.08 151.59 39.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.182 0.515 . . . . 77.900000000000006 110.121 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.285 -0.871 . . . . 118.26000000000001 108.771 172.448 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.95 134.21 54.67 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 112.556 0.576 . . . . 77.590000000000003 112.556 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -93.9 121.72 44.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 107.117 -1.438 . . . . 85.969999999999999 107.117 170.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 pt -122.3 157.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 108.607 -0.886 . . . . 82.560000000000002 108.607 -176.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.87 133.61 12.22 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.879 -1.288 . . . . 62.710000000000001 109.879 167.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 93.3 mt -119.8 130.25 54.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.011 -0.737 . . . . 102.89 109.011 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 121.511 1.96 . . . . 79.950000000000003 110.703 179.545 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.5 m -124.38 156.56 36.88 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 106.494 -1.669 . . . . 38.649999999999999 106.494 176.776 -71.621 95.572 -106.015 78.574 5.713 103.889 -107.576 -55.335 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.1 t -99.41 125.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.257 -1.386 . . . . 47.369999999999997 107.257 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' HC1' ' A' ' 5' ' ' MEA . 84.4 m-85 -111.91 146.9 36.95 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.931 -0.557 . . . . 106.76000000000001 110.627 175.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MEA . . . . . 0.404 ' HC1' ' HA ' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 m -130.84 154.62 47.86 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.797 1.036 . . . . 46.189999999999998 113.797 -171.717 -46.456 145.525 -4.562 159.601 30.531 53.532 -30.401 -62.924 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -131.75 147.64 52.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.647 . . . . 72.340000000000003 109.573 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.909 . . . . 138.28 109.886 176.787 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.26 140.24 33.75 Favored 'General case' 0 C--N 1.37 1.481 0 CA-C-N 115.851 -0.613 . . . . 53.93 109.532 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mt -97.73 119.38 45.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 107.205 -1.406 . . . . 59.729999999999997 107.205 168.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.39 131.57 70.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 N-CA-C 108.204 -1.036 . . . . 111.68000000000001 108.204 -167.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.8 127.29 15.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 109.966 -1.254 . . . . 46.579999999999998 109.966 165.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.1 128.08 56.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 118.735 -0.65 . . . . 56.530000000000001 111.473 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 122.334 2.333 . . . . 41.560000000000002 109.056 -179.076 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 63.0 m -120.62 154.37 35.55 Favored 'General case' 0 C--N 1.378 1.837 0 CA-C-N 115.044 -0.98 . . . . 51.520000000000003 110.883 -179.368 -56.918 -100.341 42.247 19.048 27.156 76.845 49.105 -48.388 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.15 129.03 54.19 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 109.053 -0.721 . . . . 89.420000000000002 109.053 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -115.55 152.76 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.359 -0.608 . . . . 72.200000000000003 109.359 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' MEA . . . . . 0.54 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -136.81 147.87 46.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 41.799999999999997 111.334 -166.318 -55.335 -107.576 -106.015 103.889 5.713 78.574 95.572 -71.621 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -80.79 124.25 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.547 -1.206 . . . . 72.390000000000001 109.387 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t0 . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 107.72 -1.215 . . . . 70.25 107.72 176.19 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.45 140.01 49.82 Favored 'General case' 0 C--N 1.368 1.384 0 CA-C-N 115.063 -0.971 . . . . 66.519999999999996 109.347 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -90.57 122.61 42.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.198 -1.408 . . . . 57.140000000000001 107.198 170.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.65 162.97 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.243 -1.021 . . . . 63.149999999999999 108.243 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.13 141.7 21.72 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.193 -1.163 . . . . 46.210000000000001 110.193 171.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -131.87 132.34 43.57 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.015 0.746 . . . . 61.719999999999999 113.015 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ORN . . . . . 0.433 ' HB3' HD11 ' C' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 124.728 1.211 . . . . 83.469999999999999 109.779 179.57 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' CYS . . . . . . . . . . . . . 60.0 m -126.16 162.33 25.63 Favored 'General case' 0 C--N 1.371 1.536 0 CA-C-N 115.497 -0.774 . . . . 50.960000000000001 110.078 -178.439 -55.494 157.52 -21.149 33.689 11.83 141.484 92.303 -58.692 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.38 127.11 57.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.74 -0.837 . . . . 139.63999999999999 108.74 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -118.07 145.14 45.04 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.433 -0.349 . . . . 64.890000000000001 110.217 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.7 162.96 30.87 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.076 0.769 . . . . 54.090000000000003 113.076 -170.986 -58.692 92.303 -21.149 141.484 11.83 33.689 157.52 -55.494 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -143.3 151.08 40.1 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.159 -0.928 . . . . 115.90000000000001 109.061 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.362 -0.835 . . . . 98.120000000000005 110.099 -179.963 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.83 137.29 57.11 Favored 'General case' 0 C--N 1.371 1.537 0 CA-C-N 115.443 -0.799 . . . . 71.670000000000002 111.059 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' B' ' 15' ' ' ORN . 4.9 mt -109.96 120.81 61.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.76 -1.571 . . . . 94.370000000000005 106.76 169.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.98 145.61 34.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.542 -0.91 . . . . 126.0 108.542 -170.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.21 122.37 6.48 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.943 -1.263 . . . . 71.859999999999999 109.943 167.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -106.91 131.16 54.31 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 109.497 -0.557 . . . . 107.22 109.497 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 120.931 1.696 . . . . 78.019999999999996 109.695 -179.477 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -117.2 154.17 31.6 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 115.471 -0.786 . . . . 55.789999999999999 110.397 179.941 -62.924 -30.401 -4.562 53.532 30.531 159.601 145.525 -46.456 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 94.8 t -100.22 124.83 53.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.506 -0.924 . . . . 57.479999999999997 108.506 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -115.1 144.2 44.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 99.290000000000006 109.46 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' MEA . . . . . 0.513 ' O ' ' HC3' ' D' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.71 162.04 32.45 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.643 -0.708 . . . . 49.0 112.637 -173.176 -48.388 49.105 42.247 76.845 27.156 19.048 -100.341 -56.918 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -144.08 151.59 39.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.182 0.515 . . . . 77.900000000000006 110.121 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.285 -0.871 . . . . 118.26000000000001 108.771 172.448 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.95 134.21 54.67 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 112.556 0.576 . . . . 64.659999999999997 112.556 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -93.9 121.72 44.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 107.117 -1.438 . . . . 71.640000000000001 107.117 170.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 pt -122.3 157.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 108.607 -0.886 . . . . 68.799999999999997 108.607 -176.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.87 133.61 12.22 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.879 -1.288 . . . . 62.710000000000001 109.879 167.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 93.3 mt -119.8 130.25 54.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.011 -0.737 . . . . 85.75 109.011 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 121.511 1.96 . . . . 66.620000000000005 110.703 179.545 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.5 m -124.38 156.56 36.88 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 106.494 -1.669 . . . . 38.649999999999999 106.494 176.776 -71.621 95.572 -106.015 78.574 5.713 103.889 -107.576 -55.335 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.1 t -99.41 125.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.257 -1.386 . . . . 47.369999999999997 107.257 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' HC1' ' A' ' 5' ' ' MEA . 84.4 m-85 -111.91 146.9 36.95 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 118.931 -0.557 . . . . 106.76000000000001 110.627 175.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MEA . . . . . 0.404 ' HC1' ' HA ' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 m -130.84 154.62 47.86 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 113.797 1.036 . . . . 46.189999999999998 113.797 -171.717 -46.456 145.525 -4.562 159.601 30.531 53.532 -30.401 -62.924 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -131.75 147.64 52.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.647 . . . . 72.340000000000003 109.573 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.909 . . . . 138.28 109.886 176.787 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.26 140.24 33.75 Favored 'General case' 0 C--N 1.37 1.481 0 CA-C-N 115.851 -0.613 . . . . 53.93 109.532 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mt -97.73 119.38 45.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 107.205 -1.406 . . . . 59.729999999999997 107.205 168.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.39 131.57 70.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 N-CA-C 108.204 -1.036 . . . . 111.68000000000001 108.204 -167.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.8 127.29 15.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 109.966 -1.254 . . . . 46.579999999999998 109.966 165.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.1 128.08 56.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 118.735 -0.65 . . . . 56.530000000000001 111.473 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 122.334 2.333 . . . . 41.560000000000002 109.056 -179.076 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 63.0 m -120.62 154.37 35.55 Favored 'General case' 0 C--N 1.378 1.837 0 CA-C-N 115.044 -0.98 . . . . 51.520000000000003 110.883 -179.368 -56.918 -100.341 42.247 19.048 27.156 76.845 49.105 -48.388 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.15 129.03 54.19 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 109.053 -0.721 . . . . 89.420000000000002 109.053 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -115.55 152.76 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.359 -0.608 . . . . 72.200000000000003 109.359 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' MEA . . . . . 0.54 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -136.81 147.87 46.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.67 0.748 . . . . 41.799999999999997 111.334 -166.318 -55.335 -107.576 -106.015 103.889 5.713 78.574 95.572 -71.621 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -80.79 124.25 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.547 -1.206 . . . . 72.390000000000001 109.387 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t0 . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 107.72 -1.215 . . . . 70.25 107.72 176.19 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.45 140.01 49.82 Favored 'General case' 0 C--N 1.368 1.384 0 CA-C-N 115.063 -0.971 . . . . 66.519999999999996 109.347 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -90.57 122.61 42.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.198 -1.408 . . . . 57.140000000000001 107.198 170.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.65 162.97 31.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.243 -1.021 . . . . 63.149999999999999 108.243 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.13 141.7 21.72 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.193 -1.163 . . . . 46.210000000000001 110.193 171.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -131.87 132.34 43.57 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.015 0.746 . . . . 61.719999999999999 113.015 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ORN . . . . . 0.433 ' HB3' HD11 ' C' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 124.728 1.211 . . . . 83.469999999999999 109.779 179.57 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' CYS . . . . . . . . . . . . . 60.0 m -126.16 162.33 25.63 Favored 'General case' 0 C--N 1.371 1.536 0 CA-C-N 115.497 -0.774 . . . . 50.960000000000001 110.078 -178.439 -55.494 157.52 -21.149 33.689 11.83 141.484 92.303 -58.692 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.38 127.11 57.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.74 -0.837 . . . . 139.63999999999999 108.74 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -118.07 145.14 45.04 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.433 -0.349 . . . . 64.890000000000001 110.217 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.7 162.96 30.87 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 113.076 0.769 . . . . 54.090000000000003 113.076 -170.986 -58.692 92.303 -21.149 141.484 11.83 33.689 157.52 -55.494 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -143.3 151.08 40.1 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.159 -0.928 . . . . 115.90000000000001 109.061 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.362 -0.835 . . . . 98.120000000000005 110.099 -179.963 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.83 137.29 57.11 Favored 'General case' 0 C--N 1.371 1.537 0 CA-C-N 115.443 -0.799 . . . . 71.670000000000002 111.059 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' B' ' 15' ' ' ORN . 4.9 mt -109.96 120.81 61.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 106.76 -1.571 . . . . 94.370000000000005 106.76 169.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.98 145.61 34.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.542 -0.91 . . . . 126.0 108.542 -170.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.21 122.37 6.48 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.943 -1.263 . . . . 71.859999999999999 109.943 167.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -106.91 131.16 54.31 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 109.497 -0.557 . . . . 107.22 109.497 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 120.931 1.696 . . . . 78.019999999999996 109.695 -179.477 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -117.2 154.17 31.6 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 115.471 -0.786 . . . . 55.789999999999999 110.397 179.941 -62.924 -30.401 -4.562 53.532 30.531 159.601 145.525 -46.456 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 94.8 t -100.22 124.83 53.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.506 -0.924 . . . . 57.479999999999997 108.506 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -115.1 144.2 44.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 99.290000000000006 109.46 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' MEA . . . . . 0.513 ' O ' ' HC3' ' D' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.71 162.04 32.45 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.643 -0.708 . . . . 49.0 112.637 -173.176 -48.388 49.105 42.247 76.845 27.156 19.048 -100.341 -56.918 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -144.08 151.59 39.82 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.182 0.515 . . . . 77.900000000000006 110.121 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.285 -0.871 . . . . 118.26000000000001 108.771 172.448 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.95 134.21 54.67 Favored 'General case' 0 C--N 1.372 1.546 0 N-CA-C 112.556 0.576 . . . . 64.659999999999997 112.556 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -93.9 121.72 44.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 107.117 -1.438 . . . . 71.640000000000001 107.117 170.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 pt -122.3 157.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 108.607 -0.886 . . . . 68.799999999999997 108.607 -176.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.87 133.61 12.22 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.879 -1.288 . . . . 62.710000000000001 109.879 167.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 93.3 mt -119.8 130.25 54.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.011 -0.737 . . . . 85.75 109.011 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 121.511 1.96 . . . . 66.620000000000005 110.703 179.545 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_