data_4rbw_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 4rbw _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 123.328 1.537 . . . . 33.67 113.471 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.8 m -122.79 123.95 42.21 Favored 'General case' 0 N--CA 1.414 -2.272 0 N-CA-C 105.321 -2.103 . . . . 35.98 105.321 167.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 m -115.91 153.71 31.07 Favored 'General case' 0 CA--C 1.499 -1.016 0 O-C-N 124.752 1.283 . . . . 31.84 112.594 175.043 -45.132 -116.743 101.577 104.386 2.061 107.297 -74.488 -63.371 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -117.18 136.04 53.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 124.154 0.982 . . . . 24.59 109.323 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.95 114.6 27.13 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 106.042 -1.836 . . . . 25.44 106.042 176.734 -65.395 -80.982 -94.059 103.858 2.104 106.809 -169.912 -31.999 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -124.78 145.12 49.9 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.112 0.257 . . . . 24.45 111.395 -169.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -89.58 -34.26 16.4 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 116.583 -2.047 . . . . 32.24 108.218 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.08 174.52 53.7 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.337 -0.705 . . . . 23.81 111.337 174.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -63.11 156.53 24.74 Favored 'General case' 0 N--CA 1.411 -2.418 0 CA-C-O 122.682 1.229 . . . . 21.9 110.692 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.48 151.89 27.19 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 114.694 1.368 . . . . 25.07 114.694 175.976 -55.965 -50.836 -76.813 105.588 2.095 100.972 -77.309 -60.491 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 166.2 4.79 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.605 1.193 . . . . 27.77 110.983 176.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.3 p -66.87 -32.58 73.94 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 119.181 -1.008 . . . . 36.41 109.832 -166.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -92.46 -3.77 54.69 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 113.132 0.79 . . . . 40.85 113.132 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -90.05 157.63 17.7 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 112.601 0.593 . . . . 29.41 112.601 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.4 m -119.66 142.22 48.65 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 109.424 -0.584 . . . . 37.96 109.424 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -71.38 117.99 13.62 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 106.812 -1.551 . . . . 27.39 106.812 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -119.5 5.12 11.11 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 113.383 0.883 . . . . 31.57 113.383 -171.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.87 -161.21 28.79 Favored Glycine 0 C--O 1.251 1.165 0 N-CA-C 110.076 -1.21 . . . . 24.0 110.076 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.15 155.37 41.09 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 C-N-CA 124.531 1.133 . . . . 31.64 110.706 173.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.9 m -113.74 146.82 39.3 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 107.22 -1.4 . . . . 28.22 107.22 169.538 -31.999 -169.912 -94.059 106.809 2.104 103.858 -80.982 -65.395 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -116.49 125.27 51.7 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.589 -1.319 . . . . 26.65 109.687 165.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 107.265 -1.383 . . . . 30.8 107.265 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p 44.6 42.87 6.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 121.389 0.614 . . . . 47.29 111.737 -173.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.98 -24.47 6.8 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 118.529 2.172 . . . . 31.59 118.529 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -89.26 147.3 24.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 123.898 0.879 . . . . 37.43 111.182 -170.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -84.57 142.21 30.14 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.76 -0.776 . . . . 23.02 111.639 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -128.7 152.98 47.79 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 113.554 -1.657 . . . . 30.65 110.582 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NH2' ' O2 ' ' A' ' 102' ' ' SO4 . 72.1 mtt85 -70.07 140.39 52.76 Favored 'General case' 0 C--O 1.194 -1.853 0 O-C-N 121.355 -0.841 . . . . 21.6 110.117 171.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.5 tp -101.25 108.71 20.43 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.196 -1.409 . . . . 31.42 107.196 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -112.22 116.77 30.96 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-N 115.22 -0.9 . . . . 23.41 112.308 -172.519 -60.491 -77.309 -76.813 100.972 2.095 105.588 -50.836 -55.965 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.6 m -120.42 147.24 45.34 Favored 'General case' 0 CA--C 1.474 -1.979 0 N-CA-C 113.487 0.921 . . . . 30.13 113.487 -166.355 -63.371 -74.488 101.577 107.297 2.061 104.386 -116.743 -45.132 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 113.69 -1.596 . . . . 61.27 108.734 161.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 122.013 0.911 . . . . 35.6 108.89 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -122.25 126.54 48.41 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 105.75 -1.945 . . . . 36.8 105.75 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.43 143.11 45.78 Favored 'General case' 0 N--CA 1.408 -2.558 0 O-C-N 123.881 0.738 . . . . 24.4 110.098 175.005 -57.357 -102.666 99.557 110.515 2.046 106.82 -78.923 -59.838 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.5 129.99 55.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.968 1.307 . . . . 27.73 110.193 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.67 115.94 26.56 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 104.447 -2.427 . . . . 23.45 104.447 -177.563 -69.307 -75.399 -93.801 103.75 2.105 102.477 -163.366 -39.469 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -126.04 143.38 51.13 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-O 122.317 1.056 . . . . 20.57 109.614 -171.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -80.63 -36.8 32.12 Favored 'General case' 0 C--O 1.265 1.883 0 O-C-N 121.335 -0.853 . . . . 23.17 111.754 168.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.41 179.58 43.49 Favored Glycine 0 CA--C 1.474 -2.479 0 CA-C-N 114.865 -1.061 . . . . 18.7 114.351 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.99 151.28 43.24 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 122.455 1.122 . . . . 21.88 111.502 -172.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m -60.26 152.11 25.74 Favored 'General case' 0 CA--C 1.48 -1.747 0 N-CA-C 113.809 1.041 . . . . 21.17 113.809 178.867 -61.774 -48.933 -78.277 106.574 2.094 104.638 -74.005 -63.997 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 166.31 9.27 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 122.024 0.916 . . . . 23.67 112.449 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -47.7 -47.21 29.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.1 -1.409 . . . . 41.08 113.126 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -101.35 20.34 16.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.182 -1.372 . . . . 66.38 112.439 -174.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.1 155.6 22.58 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 122.159 0.98 . . . . 21.39 110.313 172.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -119.18 135.75 54.52 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.076 -1.42 . . . . 26.87 108.95 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -71.36 114.78 9.78 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.412 -0.959 . . . . 23.4 108.412 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -119.14 2.1 11.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 113.9 1.074 . . . . 28.69 113.9 -169.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.8 -160.26 28.93 Favored Glycine 0 N--CA 1.431 -1.679 0 N-CA-C 107.285 -2.326 . . . . 18.52 107.285 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.48 154.53 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-N 114.134 -1.033 . . . . 20.28 112.461 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.18 139.36 47.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.425 1.107 . . . . 26.05 109.02 172.437 -39.469 -163.366 -93.801 102.477 2.105 103.75 -75.399 -69.307 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -111.29 112.0 23.46 Favored 'General case' 0 N--CA 1.403 -2.783 0 N-CA-C 102.068 -3.308 . . . . 46.01 102.068 173.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 26.1 mt -136.14 123.72 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.853 0 CA-C-N 115.115 -0.948 . . . . 36.69 110.787 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 36.9 m 47.12 43.37 14.21 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 113.38 0.882 . . . . 39.17 113.38 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.76 88.47 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 117.813 1.885 . . . . 32.91 117.813 175.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -121.71 158.96 27.59 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.461 -1.023 . . . . 44.77 110.232 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -100.34 140.42 34.61 Favored 'General case' 0 C--O 1.272 2.281 0 O-C-N 125.985 2.053 . . . . 25.6 110.457 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.33 154.51 50.66 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 114.687 -1.142 . . . . 26.42 109.419 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -69.78 140.03 53.33 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.798 -0.62 . . . . 24.47 110.611 165.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 tp -94.28 104.1 16.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 104.981 -2.229 . . . . 24.24 104.981 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 80.4 m -106.15 106.16 16.54 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.076 -1.015 . . . . 19.04 111.014 -175.255 -63.997 -74.005 -78.277 104.638 2.094 106.574 -48.933 -61.774 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 84.1 m -102.25 138.9 38.57 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.539 0.94 . . . . 23.69 113.539 -170.594 -59.838 -78.923 99.557 106.82 2.046 110.515 -102.666 -57.357 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 . . . . . 0 N--CA 1.442 -0.839 0 O-C-N 125.795 1.934 . . . . 42.44 107.954 167.055 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 123.233 1.492 . . . . 38.61 110.517 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 52.2 m -93.62 123.14 36.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 104.555 -2.387 . . . . 34.82 104.555 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -123.49 152.42 41.74 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 119.318 -0.953 . . . . 29.5 113.282 -178.444 -55.031 -100.344 106.848 107.055 2.109 104.6 -82.386 -63.21 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -131.15 145.32 51.92 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 114.244 -1.344 . . . . 30.43 108.793 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' CYS . . . . . . . . . . . . . 81.1 m -97.11 115.88 28.32 Favored 'General case' 0 C--O 1.266 1.958 0 N-CA-C 107.451 -1.314 . . . . 22.76 107.451 173.462 -64.068 -72.059 -82.161 107.637 2.08 102.193 -163.473 -55.803 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.44 133.83 54.61 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 122.227 1.013 . . . . 22.4 111.24 -171.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -79.13 -32.01 44.28 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 121.062 -1.024 . . . . 35.48 112.597 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.81 -167.16 40.21 Favored Glycine 0 N--CA 1.41 -3.095 0 N-CA-C 115.928 1.131 . . . . 18.78 115.928 167.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.46 163.2 27.28 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-O 123.183 1.468 . . . . 46.29 112.059 -174.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.44 146.92 54.01 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 123.575 1.655 . . . . 26.33 110.305 177.199 -63.356 -44.946 -80.69 106.936 2.113 102.516 -71.744 -65.44 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.57 -171.89 2.75 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.277 -1.328 . . . . 28.43 110.546 -172.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -63.77 137.34 58.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 120.467 -1.395 . . . . 40.61 109.794 -173.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 78.23 -0.18 2.61 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.58 1.175 . . . . 61.18 113.067 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -105.48 143.48 33.58 Favored 'General case' 0 C--O 1.251 1.178 0 CA-C-N 116.585 -0.28 . . . . 23.57 111.172 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -115.65 146.7 41.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.173 0.589 . . . . 26.65 111.202 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.74 119.29 16.77 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 108.664 -0.865 . . . . 20.4 108.664 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 10.4 m -120.24 0.37 10.63 Favored 'General case' 0 CA--C 1.476 -1.902 0 O-C-N 124.796 1.31 . . . . 22.76 114.093 -172.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.44 -147.86 18.44 Favored Glycine 0 C--O 1.247 0.937 0 N-CA-C 106.856 -2.498 . . . . 17.36 106.856 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' VAL . . . . . . . . . . . . . 33.2 m -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--O 1.247 0.94 0 CA-C-N 114.127 -1.037 . . . . 18.4 112.061 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -112.47 138.13 49.68 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.896 -1.52 . . . . 20.23 106.896 170.212 -55.803 -163.473 -82.161 102.193 2.08 107.637 -72.059 -64.068 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -130.13 137.59 50.22 Favored 'General case' 0 C--O 1.207 -1.182 0 C-N-CA 123.363 0.665 . . . . 25.04 110.129 -175.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 21.3 tt -146.07 162.63 10.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.37 -2.085 . . . . 28.49 105.37 166.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 18.3 t -54.95 123.3 13.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 118.505 -1.278 . . . . 30.98 111.526 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 2.79 86.97 Favored Glycine 0 C--O 1.258 1.653 0 N-CA-C 117.419 1.728 . . . . 24.44 117.419 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -141.43 149.02 40.46 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 121.372 -1.075 . . . . 34.88 110.891 -173.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -142.02 124.98 16.15 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 108.193 -1.039 . . . . 26.09 108.193 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -123.34 159.31 29.13 Favored 'General case' 0 N--CA 1.411 -2.391 0 C-N-CA 123.746 0.818 . . . . 33.13 109.938 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -69.77 140.72 53.44 Favored 'General case' 0 C--O 1.194 -1.859 0 CA-C-O 119.268 -0.396 . . . . 22.48 111.595 167.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 43.2 tp -95.82 111.22 23.24 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.215 -1.031 . . . . 21.2 108.215 168.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.5 122.87 48.57 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.061 -1.459 . . . . 19.99 107.061 -173.34 -65.44 -71.744 -80.69 102.516 2.113 106.936 -44.946 -63.356 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -125.24 146.12 49.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.248 -0.908 . . . . 23.45 111.085 -172.11 -63.21 -82.386 106.848 104.6 2.109 107.055 -100.344 -55.031 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 . . . . . 0 C--O 1.251 1.162 0 O-C-N 124.553 1.158 . . . . 72.54 110.928 -176.99 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.412 0.625 . . . . 41.93 111.645 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 46.5 m -93.03 121.28 34.21 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 104.59 -2.374 . . . . 26.66 104.59 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -122.5 147.7 46.04 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.471 0.653 . . . . 31.83 110.047 -179.157 -65.27 -87.744 108.92 107.765 2.085 107.411 -88.667 -61.643 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -131.61 146.01 51.99 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 114.357 -1.292 . . . . 34.22 109.605 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' CYS . . . . . . . . . . . . . 85.2 m -96.45 118.24 32.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.101 -0.64 . . . . 24.35 110.425 170.35 -59.69 -79.349 -86.507 104.705 2.086 101.666 -167.318 -48.976 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -116.09 145.14 43.27 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.164 1.459 . . . . 23.65 114.174 -171.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -79.74 -32.2 41.11 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 114.11 -1.404 . . . . 30.68 111.516 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.41 -158.21 24.9 Favored Glycine 0 C--O 1.258 1.598 0 CA-C-O 122.026 0.792 . . . . 18.39 111.731 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -67.15 155.42 38.82 Favored 'General case' 0 C--O 1.193 -1.896 0 CA-C-O 123.505 1.621 . . . . 34.9 110.453 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.03 147.87 51.09 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 107.901 -1.148 . . . . 23.4 107.901 169.743 -65.787 -45.997 -79.856 106.829 2.052 104.449 -69.895 -63.4 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 151.36 18.22 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.007 -0.997 . . . . 21.46 110.309 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 43.5 m -51.64 -33.56 34.03 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.22 0.95 . . . . 28.24 112.756 174.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -82.99 -2.44 55.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.859 1.8 . . . . 43.3 115.859 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -105.56 169.25 8.57 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 121.556 0.693 . . . . 24.68 112.089 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 14.5 m -121.09 137.27 54.74 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.996 1.319 . . . . 35.69 107.588 176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.44 118.16 11.14 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 108.5 -0.926 . . . . 28.18 108.5 171.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -119.66 1.0 11.07 Favored 'General case' 0 C--O 1.269 2.084 0 C-N-CA 120.312 -0.555 . . . . 27.29 112.088 -171.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.45 -147.77 18.62 Favored Glycine 0 C--N 1.314 -0.659 0 N-CA-C 110.702 -0.959 . . . . 20.4 110.702 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.12 157.97 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 123.186 0.595 . . . . 21.29 110.355 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 m -114.6 138.95 50.03 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 125.012 1.445 . . . . 22.32 107.963 168.156 -48.976 -167.318 -86.507 101.666 2.086 104.705 -79.349 -59.69 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -128.42 141.64 51.34 Favored 'General case' 0 C--O 1.203 -1.381 0 C-N-CA 123.788 0.835 . . . . 29.16 111.562 -174.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ILE . . . . . 0.571 ' O ' ' CG2' ' D' ' 22' ' ' ILE 0.3 0.0 OUTLIER -161.2 138.16 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.341 0 N-CA-C 105.777 -1.935 . . . . 28.16 105.777 159.888 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' SER . . . . . 0.465 ' C ' ' O ' ' D' ' 22' ' ' ILE . 19.0 t -33.22 123.33 0.4 Allowed 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 117.833 -1.547 . . . . 42.91 112.204 174.677 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.59 -9.18 78.04 Favored Glycine 0 N--CA 1.471 0.999 0 N-CA-C 118.325 2.09 . . . . 28.12 118.325 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' D' ' 210' ' ' HOH . 24.1 mtp180 -140.48 151.79 45.11 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 122.364 1.078 . . . . 59.07 109.799 -172.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -135.43 144.61 46.58 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 106.604 -1.628 . . . . 27.8 106.604 168.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.57 158.44 44.38 Favored 'General case' 0 CA--C 1.471 -2.09 0 N-CA-C 108.825 -0.806 . . . . 26.38 108.825 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -72.56 141.97 48.45 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 122.023 0.916 . . . . 22.22 111.286 166.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.18 121.69 38.23 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 106.879 -1.526 . . . . 21.69 106.879 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 74.8 m -126.75 122.06 33.75 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.794 -1.187 . . . . 20.14 107.794 -169.061 -63.4 -69.895 -79.856 104.449 2.052 106.829 -45.997 -65.787 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.27 151.85 51.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 118.06 0.391 . . . . 28.44 111.405 -168.822 -61.643 -88.667 108.92 107.411 2.085 107.765 -87.744 -65.27 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.0 2.12 . . . . 51.74 109.291 177.153 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . 0.418 ' O2 ' ' NH2' ' A' ' 28' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' 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 ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 222' ' ' 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 orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . 0.439 ' O ' ' NH2' ' D' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' D' ' 18' ' ' GLY . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 123.328 1.537 . . . . 33.670000000000002 113.471 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.8 m -122.79 123.95 42.21 Favored 'General case' 0 N--CA 1.414 -2.272 0 N-CA-C 105.321 -2.103 . . . . 35.979999999999997 105.321 167.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 m -115.91 153.71 31.07 Favored 'General case' 0 CA--C 1.499 -1.016 0 O-C-N 124.752 1.283 . . . . 31.84 112.594 175.043 -45.132 -116.743 101.577 104.386 2.061 107.297 -74.488 -63.371 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -117.18 136.04 53.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 124.154 0.982 . . . . 24.59 109.323 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.95 114.6 27.13 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 106.042 -1.836 . . . . 25.440000000000001 106.042 176.734 -65.395 -80.982 -94.059 103.858 2.104 106.809 -169.912 -31.999 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -124.78 145.12 49.9 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.112 0.257 . . . . 24.449999999999999 111.395 -169.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' NH1' ' HG3' ' A' ' 25' ' ' ARG . 13.3 mmm180 -89.58 -34.26 16.4 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 116.583 -2.047 . . . . 32.240000000000002 108.218 171.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.08 174.52 53.7 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.337 -0.705 . . . . 23.809999999999999 111.337 174.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -63.11 156.53 24.74 Favored 'General case' 0 N--CA 1.411 -2.418 0 CA-C-O 122.682 1.229 . . . . 21.899999999999999 110.692 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.48 151.89 27.19 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 114.694 1.368 . . . . 25.07 114.694 175.976 -55.965 -50.836 -76.813 105.588 2.095 100.972 -77.309 -60.491 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 166.2 4.79 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.605 1.193 . . . . 27.77 110.983 176.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.3 p -66.87 -32.58 73.94 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 119.181 -1.008 . . . . 36.409999999999997 109.832 -166.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -92.46 -3.77 54.69 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 113.132 0.79 . . . . 40.850000000000001 113.132 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -90.05 157.63 17.7 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 112.601 0.593 . . . . 29.41 112.601 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.4 m -119.66 142.22 48.65 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 109.424 -0.584 . . . . 37.960000000000001 109.424 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -71.38 117.99 13.62 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 106.812 -1.551 . . . . 27.390000000000001 106.812 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -119.5 5.12 11.11 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 113.383 0.883 . . . . 31.57 113.383 -171.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.87 -161.21 28.79 Favored Glycine 0 C--O 1.251 1.165 0 N-CA-C 110.076 -1.21 . . . . 24.0 110.076 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 27' ' ' TYR . 47.5 t -129.15 155.37 41.09 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 C-N-CA 124.531 1.133 . . . . 31.640000000000001 110.706 173.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.9 m -113.74 146.82 39.3 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 107.22 -1.4 . . . . 28.219999999999999 107.22 169.538 -31.999 -169.912 -94.059 106.809 2.104 103.858 -80.982 -65.395 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -116.49 125.27 51.7 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.589 -1.319 . . . . 26.649999999999999 109.687 165.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . 0.731 HD13 HD11 ' D' ' 22' ' ' ILE . 62.2 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 107.265 -1.383 . . . . 30.800000000000001 107.265 -174.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p 44.6 42.87 6.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 121.389 0.614 . . . . 47.289999999999999 111.737 -173.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.98 -24.47 6.8 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 118.529 2.172 . . . . 31.59 118.529 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 2.3 tpt180 -89.26 147.3 24.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 123.898 0.879 . . . . 37.43 111.182 -170.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.65 HD22 HG11 ' A' ' 19' ' ' VAL . 88.1 mt -84.57 142.21 30.14 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.76 -0.776 . . . . 23.02 111.639 176.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . 0.655 ' O ' HG13 ' A' ' 19' ' ' VAL . 51.0 m-85 -128.7 152.98 47.79 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 113.554 -1.657 . . . . 30.649999999999999 110.582 171.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -70.07 140.39 52.76 Favored 'General case' 0 C--O 1.194 -1.853 0 O-C-N 121.355 -0.841 . . . . 21.600000000000001 110.117 171.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.5 tp -101.25 108.71 20.43 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.196 -1.409 . . . . 31.420000000000002 107.196 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -112.22 116.77 30.96 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-N 115.22 -0.9 . . . . 23.41 112.308 -172.519 -60.491 -77.309 -76.813 100.972 2.095 105.588 -50.836 -55.965 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.6 m -120.42 147.24 45.34 Favored 'General case' 0 CA--C 1.474 -1.979 0 N-CA-C 113.487 0.921 . . . . 30.129999999999999 113.487 -166.355 -63.371 -74.488 101.577 107.297 2.061 104.386 -116.743 -45.132 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 206' ' ' HOH . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 113.69 -1.596 . . . . 61.270000000000003 108.734 161.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 122.013 0.911 . . . . 35.600000000000001 108.89 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -122.25 126.54 48.41 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 105.75 -1.945 . . . . 36.799999999999997 105.75 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.43 143.11 45.78 Favored 'General case' 0 N--CA 1.408 -2.558 0 O-C-N 123.881 0.738 . . . . 24.399999999999999 110.098 175.005 -57.357 -102.666 99.557 110.515 2.046 106.82 -78.923 -59.838 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.5 129.99 55.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.968 1.307 . . . . 27.73 110.193 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.67 115.94 26.56 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 104.447 -2.427 . . . . 23.449999999999999 104.447 -177.563 -69.307 -75.399 -93.801 103.75 2.105 102.477 -163.366 -39.469 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -126.04 143.38 51.13 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-O 122.317 1.056 . . . . 20.57 109.614 -171.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -80.63 -36.8 32.12 Favored 'General case' 0 C--O 1.265 1.883 0 O-C-N 121.335 -0.853 . . . . 23.170000000000002 111.754 168.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.41 179.58 43.49 Favored Glycine 0 CA--C 1.474 -2.479 0 CA-C-N 114.865 -1.061 . . . . 18.699999999999999 114.351 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.99 151.28 43.24 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 122.455 1.122 . . . . 21.879999999999999 111.502 -172.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m -60.26 152.11 25.74 Favored 'General case' 0 CA--C 1.48 -1.747 0 N-CA-C 113.809 1.041 . . . . 21.170000000000002 113.809 178.867 -61.774 -48.933 -78.277 106.574 2.094 104.638 -74.005 -63.997 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 166.31 9.27 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 122.024 0.916 . . . . 23.670000000000002 112.449 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -47.7 -47.21 29.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.1 -1.409 . . . . 41.079999999999998 113.126 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -101.35 20.34 16.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.182 -1.372 . . . . 66.379999999999995 112.439 -174.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.1 155.6 22.58 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 122.159 0.98 . . . . 21.390000000000001 110.313 172.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -119.18 135.75 54.52 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.076 -1.42 . . . . 26.870000000000001 108.95 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -71.36 114.78 9.78 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.412 -0.959 . . . . 23.399999999999999 108.412 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -119.14 2.1 11.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 113.9 1.074 . . . . 28.690000000000001 113.9 -169.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.8 -160.26 28.93 Favored Glycine 0 N--CA 1.431 -1.679 0 N-CA-C 107.285 -2.326 . . . . 18.52 107.285 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.48 154.53 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-N 114.134 -1.033 . . . . 20.280000000000001 112.461 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.18 139.36 47.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.425 1.107 . . . . 26.050000000000001 109.02 172.437 -39.469 -163.366 -93.801 102.477 2.105 103.75 -75.399 -69.307 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . 0.455 ' HD2' 'CL ' ' B' ' 103' ' ' ' CL' . 41.6 ttp85 -111.29 112.0 23.46 Favored 'General case' 0 N--CA 1.403 -2.783 0 N-CA-C 102.068 -3.308 . . . . 46.009999999999998 102.068 173.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 26.1 mt -136.14 123.72 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.853 0 CA-C-N 115.115 -0.948 . . . . 36.689999999999998 110.787 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 36.9 m 47.12 43.37 14.21 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 113.38 0.882 . . . . 39.170000000000002 113.38 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.76 88.47 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 117.813 1.885 . . . . 32.909999999999997 117.813 175.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -121.71 158.96 27.59 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.461 -1.023 . . . . 44.770000000000003 110.232 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -100.34 140.42 34.61 Favored 'General case' 0 C--O 1.272 2.281 0 O-C-N 125.985 2.053 . . . . 25.600000000000001 110.457 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.33 154.51 50.66 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 114.687 -1.142 . . . . 26.420000000000002 109.419 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -69.78 140.03 53.33 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.798 -0.62 . . . . 24.469999999999999 110.611 165.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 tp -94.28 104.1 16.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 104.981 -2.229 . . . . 24.239999999999998 104.981 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 80.4 m -106.15 106.16 16.54 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.076 -1.015 . . . . 19.039999999999999 111.014 -175.255 -63.997 -74.005 -78.277 104.638 2.094 106.574 -48.933 -61.774 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 84.1 m -102.25 138.9 38.57 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.539 0.94 . . . . 23.690000000000001 113.539 -170.594 -59.838 -78.923 99.557 106.82 2.046 110.515 -102.666 -57.357 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 . . . . . 0 N--CA 1.442 -0.839 0 O-C-N 125.795 1.934 . . . . 42.439999999999998 107.954 167.055 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 123.233 1.492 . . . . 38.609999999999999 110.517 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 52.2 m -93.62 123.14 36.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 104.555 -2.387 . . . . 34.82 104.555 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -123.49 152.42 41.74 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 119.318 -0.953 . . . . 29.5 113.282 -178.444 -55.031 -100.344 106.848 107.055 2.109 104.6 -82.386 -63.21 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -131.15 145.32 51.92 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 114.244 -1.344 . . . . 30.43 108.793 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' CYS . . . . . . . . . . . . . 81.1 m -97.11 115.88 28.32 Favored 'General case' 0 C--O 1.266 1.958 0 N-CA-C 107.451 -1.314 . . . . 22.760000000000002 107.451 173.462 -64.068 -72.059 -82.161 107.637 2.08 102.193 -163.473 -55.803 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.44 133.83 54.61 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 122.227 1.013 . . . . 22.399999999999999 111.24 -171.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -79.13 -32.01 44.28 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 121.062 -1.024 . . . . 35.479999999999997 112.597 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.81 -167.16 40.21 Favored Glycine 0 N--CA 1.41 -3.095 0 N-CA-C 115.928 1.131 . . . . 18.780000000000001 115.928 167.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.46 163.2 27.28 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-O 123.183 1.468 . . . . 46.289999999999999 112.059 -174.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.44 146.92 54.01 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 123.575 1.655 . . . . 26.329999999999998 110.305 177.199 -63.356 -44.946 -80.69 106.936 2.113 102.516 -71.744 -65.44 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.57 -171.89 2.75 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.277 -1.328 . . . . 28.43 110.546 -172.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -63.77 137.34 58.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 120.467 -1.395 . . . . 40.609999999999999 109.794 -173.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 78.23 -0.18 2.61 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.58 1.175 . . . . 61.18 113.067 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -105.48 143.48 33.58 Favored 'General case' 0 C--O 1.251 1.178 0 CA-C-N 116.585 -0.28 . . . . 23.57 111.172 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -115.65 146.7 41.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.173 0.589 . . . . 26.649999999999999 111.202 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.74 119.29 16.77 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 108.664 -0.865 . . . . 20.399999999999999 108.664 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 10.4 m -120.24 0.37 10.63 Favored 'General case' 0 CA--C 1.476 -1.902 0 O-C-N 124.796 1.31 . . . . 22.760000000000002 114.093 -172.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.44 -147.86 18.44 Favored Glycine 0 C--O 1.247 0.937 0 N-CA-C 106.856 -2.498 . . . . 17.359999999999999 106.856 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' VAL . . . . . . . . . . . . . 33.2 m -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--O 1.247 0.94 0 CA-C-N 114.127 -1.037 . . . . 18.399999999999999 112.061 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -112.47 138.13 49.68 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.896 -1.52 . . . . 20.23 106.896 170.212 -55.803 -163.473 -82.161 102.193 2.08 107.637 -72.059 -64.068 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -130.13 137.59 50.22 Favored 'General case' 0 C--O 1.207 -1.182 0 C-N-CA 123.363 0.665 . . . . 25.039999999999999 110.129 -175.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 21.3 tt -146.07 162.63 10.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.37 -2.085 . . . . 28.489999999999998 105.37 166.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 18.3 t -54.95 123.3 13.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 118.505 -1.278 . . . . 30.98 111.526 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 2.79 86.97 Favored Glycine 0 C--O 1.258 1.653 0 N-CA-C 117.419 1.728 . . . . 24.440000000000001 117.419 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -141.43 149.02 40.46 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 121.372 -1.075 . . . . 34.880000000000003 110.891 -173.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -142.02 124.98 16.15 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 108.193 -1.039 . . . . 26.09 108.193 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -123.34 159.31 29.13 Favored 'General case' 0 N--CA 1.411 -2.391 0 C-N-CA 123.746 0.818 . . . . 33.130000000000003 109.938 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -69.77 140.72 53.44 Favored 'General case' 0 C--O 1.194 -1.859 0 CA-C-O 119.268 -0.396 . . . . 22.48 111.595 167.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 43.2 tp -95.82 111.22 23.24 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.215 -1.031 . . . . 21.199999999999999 108.215 168.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.5 122.87 48.57 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.061 -1.459 . . . . 19.989999999999998 107.061 -173.34 -65.44 -71.744 -80.69 102.516 2.113 106.936 -44.946 -63.356 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -125.24 146.12 49.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.248 -0.908 . . . . 23.449999999999999 111.085 -172.11 -63.21 -82.386 106.848 104.6 2.109 107.055 -100.344 -55.031 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 . . . . . 0 C--O 1.251 1.162 0 O-C-N 124.553 1.158 . . . . 72.540000000000006 110.928 -176.99 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.412 0.625 . . . . 41.93 111.645 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 46.5 m -93.03 121.28 34.21 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 104.59 -2.374 . . . . 26.66 104.59 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -122.5 147.7 46.04 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.471 0.653 . . . . 31.829999999999998 110.047 -179.157 -65.27 -87.744 108.92 107.765 2.085 107.411 -88.667 -61.643 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -131.61 146.01 51.99 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 114.357 -1.292 . . . . 34.219999999999999 109.605 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' CYS . . . . . . . . . . . . . 85.2 m -96.45 118.24 32.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.101 -0.64 . . . . 24.350000000000001 110.425 170.35 -59.69 -79.349 -86.507 104.705 2.086 101.666 -167.318 -48.976 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -116.09 145.14 43.27 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.164 1.459 . . . . 23.649999999999999 114.174 -171.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -79.74 -32.2 41.11 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 114.11 -1.404 . . . . 30.68 111.516 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.41 -158.21 24.9 Favored Glycine 0 C--O 1.258 1.598 0 CA-C-O 122.026 0.792 . . . . 18.390000000000001 111.731 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -67.15 155.42 38.82 Favored 'General case' 0 C--O 1.193 -1.896 0 CA-C-O 123.505 1.621 . . . . 34.899999999999999 110.453 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.03 147.87 51.09 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 107.901 -1.148 . . . . 23.399999999999999 107.901 169.743 -65.787 -45.997 -79.856 106.829 2.052 104.449 -69.895 -63.4 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 151.36 18.22 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.007 -0.997 . . . . 21.460000000000001 110.309 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 43.5 m -51.64 -33.56 34.03 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.22 0.95 . . . . 28.239999999999998 112.756 174.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -82.99 -2.44 55.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.859 1.8 . . . . 43.299999999999997 115.859 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -105.56 169.25 8.57 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 121.556 0.693 . . . . 24.68 112.089 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 14.5 m -121.09 137.27 54.74 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.996 1.319 . . . . 35.689999999999998 107.588 176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.44 118.16 11.14 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 108.5 -0.926 . . . . 28.18 108.5 171.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -119.66 1.0 11.07 Favored 'General case' 0 C--O 1.269 2.084 0 C-N-CA 120.312 -0.555 . . . . 27.289999999999999 112.088 -171.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 1' ' ' ALA . . . 148.45 -147.77 18.62 Favored Glycine 0 C--N 1.314 -0.659 0 N-CA-C 110.702 -0.959 . . . . 20.399999999999999 110.702 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.12 157.97 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 123.186 0.595 . . . . 21.289999999999999 110.355 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 m -114.6 138.95 50.03 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 125.012 1.445 . . . . 22.32 107.963 168.156 -48.976 -167.318 -86.507 101.666 2.086 104.705 -79.349 -59.69 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -128.42 141.64 51.34 Favored 'General case' 0 C--O 1.203 -1.381 0 C-N-CA 123.788 0.835 . . . . 29.16 111.562 -174.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ILE . . . . . 0.731 HD11 HD13 ' A' ' 22' ' ' ILE 0.3 0.0 OUTLIER -161.2 138.16 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.341 0 N-CA-C 105.777 -1.935 . . . . 28.16 105.777 159.888 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 23' ' ' SER . . . . . 0.465 ' C ' ' O ' ' D' ' 22' ' ' ILE . 19.0 t -33.22 123.33 0.4 Allowed 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 117.833 -1.547 . . . . 42.909999999999997 112.204 174.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.59 -9.18 78.04 Favored Glycine 0 N--CA 1.471 0.999 0 N-CA-C 118.325 2.09 . . . . 28.120000000000001 118.325 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ARG . . . . . 0.581 ' HB2' HD12 ' D' ' 22' ' ' ILE . 24.1 mtp180 -140.48 151.79 45.11 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 122.364 1.078 . . . . 59.07 109.799 -172.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -135.43 144.61 46.58 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 106.604 -1.628 . . . . 27.800000000000001 106.604 168.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.57 158.44 44.38 Favored 'General case' 0 CA--C 1.471 -2.09 0 N-CA-C 108.825 -0.806 . . . . 26.379999999999999 108.825 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -72.56 141.97 48.45 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 122.023 0.916 . . . . 22.219999999999999 111.286 166.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.18 121.69 38.23 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 106.879 -1.526 . . . . 21.690000000000001 106.879 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 74.8 m -126.75 122.06 33.75 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.794 -1.187 . . . . 20.140000000000001 107.794 -169.061 -63.4 -69.895 -79.856 104.449 2.052 106.829 -45.997 -65.787 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.27 151.85 51.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 118.06 0.391 . . . . 28.440000000000001 111.405 -168.822 -61.643 -88.667 108.92 107.411 2.085 107.765 -87.744 -65.27 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.0 2.12 . . . . 51.740000000000002 109.291 177.153 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ' CL' . . . . . 0.455 'CL ' ' HD2' ' B' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.414 ' O ' ' HD2' ' A' ' 32' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' 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 ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 222' ' ' 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 build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . 0.439 ' O ' ' NH2' ' D' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' D' ' 18' ' ' GLY . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 123.328 1.537 . . . . 33.670000000000002 113.471 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.8 m -122.79 123.95 42.21 Favored 'General case' 0 N--CA 1.414 -2.272 0 N-CA-C 105.321 -2.103 . . . . 35.979999999999997 105.321 167.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 m -115.91 153.71 31.07 Favored 'General case' 0 CA--C 1.499 -1.016 0 O-C-N 124.752 1.283 . . . . 31.84 112.594 175.043 -45.132 -116.743 101.577 104.386 2.061 107.297 -74.488 -63.371 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -117.18 136.04 53.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 124.154 0.982 . . . . 24.59 109.323 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.5 m -90.95 114.6 27.13 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 106.042 -1.836 . . . . 25.440000000000001 106.042 176.734 -65.395 -80.982 -94.059 103.858 2.104 106.809 -169.912 -31.999 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -124.78 145.12 49.9 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.112 0.257 . . . . 24.449999999999999 111.395 -169.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' NH1' ' HG3' ' A' ' 25' ' ' ARG . 13.3 mmm180 -89.58 -34.26 16.4 Favored 'General case' 0 C--O 1.208 -1.122 0 C-N-CA 116.583 -2.047 . . . . 32.240000000000002 108.218 171.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.08 174.52 53.7 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.337 -0.705 . . . . 23.809999999999999 111.337 174.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -63.11 156.53 24.74 Favored 'General case' 0 N--CA 1.411 -2.418 0 CA-C-O 122.682 1.229 . . . . 21.899999999999999 110.692 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.48 151.89 27.19 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 114.694 1.368 . . . . 25.07 114.694 175.976 -55.965 -50.836 -76.813 105.588 2.095 100.972 -77.309 -60.491 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.94 166.2 4.79 Favored 'General case' 0 CA--C 1.489 -1.397 0 CA-C-O 122.605 1.193 . . . . 27.77 110.983 176.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.3 p -66.87 -32.58 73.94 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 119.181 -1.008 . . . . 36.409999999999997 109.832 -166.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -92.46 -3.77 54.69 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 113.132 0.79 . . . . 40.850000000000001 113.132 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -90.05 157.63 17.7 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 112.601 0.593 . . . . 29.41 112.601 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.4 m -119.66 142.22 48.65 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 109.424 -0.584 . . . . 37.960000000000001 109.424 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -71.38 117.99 13.62 Favored 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 106.812 -1.551 . . . . 27.390000000000001 106.812 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -119.5 5.12 11.11 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 113.383 0.883 . . . . 31.57 113.383 -171.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.87 -161.21 28.79 Favored Glycine 0 C--O 1.251 1.165 0 N-CA-C 110.076 -1.21 . . . . 24.0 110.076 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 27' ' ' TYR . 47.5 t -129.15 155.37 41.09 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 C-N-CA 124.531 1.133 . . . . 31.640000000000001 110.706 173.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.9 m -113.74 146.82 39.3 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 107.22 -1.4 . . . . 28.219999999999999 107.22 169.538 -31.999 -169.912 -94.059 106.809 2.104 103.858 -80.982 -65.395 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -116.49 125.27 51.7 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.589 -1.319 . . . . 26.649999999999999 109.687 165.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.731 HD13 HD11 ' D' ' 22' ' ' ILE . 62.2 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 107.265 -1.383 . . . . 30.800000000000001 107.265 -174.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p 44.6 42.87 6.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 121.389 0.614 . . . . 47.289999999999999 111.737 -173.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.98 -24.47 6.8 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 118.529 2.172 . . . . 31.59 118.529 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 2.3 tpt180 -89.26 147.3 24.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 123.898 0.879 . . . . 37.43 111.182 -170.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.65 HD22 HG11 ' A' ' 19' ' ' VAL . 88.1 mt -84.57 142.21 30.14 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.76 -0.776 . . . . 23.02 111.639 176.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.655 ' O ' HG13 ' A' ' 19' ' ' VAL . 51.0 m-85 -128.7 152.98 47.79 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 113.554 -1.657 . . . . 30.649999999999999 110.582 171.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -70.07 140.39 52.76 Favored 'General case' 0 C--O 1.194 -1.853 0 O-C-N 121.355 -0.841 . . . . 21.600000000000001 110.117 171.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.5 tp -101.25 108.71 20.43 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.196 -1.409 . . . . 31.420000000000002 107.196 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -112.22 116.77 30.96 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-N 115.22 -0.9 . . . . 23.41 112.308 -172.519 -60.491 -77.309 -76.813 100.972 2.095 105.588 -50.836 -55.965 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.6 m -120.42 147.24 45.34 Favored 'General case' 0 CA--C 1.474 -1.979 0 N-CA-C 113.487 0.921 . . . . 30.129999999999999 113.487 -166.355 -63.371 -74.488 101.577 107.297 2.061 104.386 -116.743 -45.132 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 206' ' ' HOH . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 113.69 -1.596 . . . . 61.270000000000003 108.734 161.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 122.013 0.911 . . . . 35.600000000000001 108.89 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -122.25 126.54 48.41 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 105.75 -1.945 . . . . 36.799999999999997 105.75 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.43 143.11 45.78 Favored 'General case' 0 N--CA 1.408 -2.558 0 O-C-N 123.881 0.738 . . . . 24.399999999999999 110.098 175.005 -57.357 -102.666 99.557 110.515 2.046 106.82 -78.923 -59.838 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.5 129.99 55.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.968 1.307 . . . . 27.73 110.193 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.67 115.94 26.56 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 104.447 -2.427 . . . . 23.449999999999999 104.447 -177.563 -69.307 -75.399 -93.801 103.75 2.105 102.477 -163.366 -39.469 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -126.04 143.38 51.13 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-O 122.317 1.056 . . . . 20.57 109.614 -171.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -80.63 -36.8 32.12 Favored 'General case' 0 C--O 1.265 1.883 0 O-C-N 121.335 -0.853 . . . . 23.170000000000002 111.754 168.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.41 179.58 43.49 Favored Glycine 0 CA--C 1.474 -2.479 0 CA-C-N 114.865 -1.061 . . . . 18.699999999999999 114.351 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.99 151.28 43.24 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 122.455 1.122 . . . . 21.879999999999999 111.502 -172.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m -60.26 152.11 25.74 Favored 'General case' 0 CA--C 1.48 -1.747 0 N-CA-C 113.809 1.041 . . . . 21.170000000000002 113.809 178.867 -61.774 -48.933 -78.277 106.574 2.094 104.638 -74.005 -63.997 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 166.31 9.27 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 122.024 0.916 . . . . 23.670000000000002 112.449 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -47.7 -47.21 29.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.1 -1.409 . . . . 41.079999999999998 113.126 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -101.35 20.34 16.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.182 -1.372 . . . . 66.379999999999995 112.439 -174.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.1 155.6 22.58 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 122.159 0.98 . . . . 21.390000000000001 110.313 172.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -119.18 135.75 54.52 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.076 -1.42 . . . . 26.870000000000001 108.95 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 tp -71.36 114.78 9.78 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.412 -0.959 . . . . 23.399999999999999 108.412 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -119.14 2.1 11.4 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 113.9 1.074 . . . . 28.690000000000001 113.9 -169.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.8 -160.26 28.93 Favored Glycine 0 N--CA 1.431 -1.679 0 N-CA-C 107.285 -2.326 . . . . 18.52 107.285 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.48 154.53 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-N 114.134 -1.033 . . . . 20.280000000000001 112.461 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.18 139.36 47.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.425 1.107 . . . . 26.050000000000001 109.02 172.437 -39.469 -163.366 -93.801 102.477 2.105 103.75 -75.399 -69.307 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.455 ' HD2' 'CL ' ' B' ' 103' ' ' ' CL' . 41.6 ttp85 -111.29 112.0 23.46 Favored 'General case' 0 N--CA 1.403 -2.783 0 N-CA-C 102.068 -3.308 . . . . 46.009999999999998 102.068 173.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 26.1 mt -136.14 123.72 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.853 0 CA-C-N 115.115 -0.948 . . . . 36.689999999999998 110.787 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 36.9 m 47.12 43.37 14.21 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 113.38 0.882 . . . . 39.170000000000002 113.38 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.76 88.47 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 117.813 1.885 . . . . 32.909999999999997 117.813 175.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -121.71 158.96 27.59 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.461 -1.023 . . . . 44.770000000000003 110.232 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 tp -100.34 140.42 34.61 Favored 'General case' 0 C--O 1.272 2.281 0 O-C-N 125.985 2.053 . . . . 25.600000000000001 110.457 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.33 154.51 50.66 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 114.687 -1.142 . . . . 26.420000000000002 109.419 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -69.78 140.03 53.33 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.798 -0.62 . . . . 24.469999999999999 110.611 165.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 tp -94.28 104.1 16.1 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 104.981 -2.229 . . . . 24.239999999999998 104.981 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 80.4 m -106.15 106.16 16.54 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.076 -1.015 . . . . 19.039999999999999 111.014 -175.255 -63.997 -74.005 -78.277 104.638 2.094 106.574 -48.933 -61.774 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 84.1 m -102.25 138.9 38.57 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.539 0.94 . . . . 23.690000000000001 113.539 -170.594 -59.838 -78.923 99.557 106.82 2.046 110.515 -102.666 -57.357 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 . . . . . 0 N--CA 1.442 -0.839 0 O-C-N 125.795 1.934 . . . . 42.439999999999998 107.954 167.055 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 123.233 1.492 . . . . 38.609999999999999 110.517 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 52.2 m -93.62 123.14 36.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 104.555 -2.387 . . . . 34.82 104.555 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -123.49 152.42 41.74 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 119.318 -0.953 . . . . 29.5 113.282 -178.444 -55.031 -100.344 106.848 107.055 2.109 104.6 -82.386 -63.21 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -131.15 145.32 51.92 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 114.244 -1.344 . . . . 30.43 108.793 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' CYS . . . . . . . . . . . . . 81.1 m -97.11 115.88 28.32 Favored 'General case' 0 C--O 1.266 1.958 0 N-CA-C 107.451 -1.314 . . . . 22.760000000000002 107.451 173.462 -64.068 -72.059 -82.161 107.637 2.08 102.193 -163.473 -55.803 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.44 133.83 54.61 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 122.227 1.013 . . . . 22.399999999999999 111.24 -171.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -79.13 -32.01 44.28 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 121.062 -1.024 . . . . 35.479999999999997 112.597 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.81 -167.16 40.21 Favored Glycine 0 N--CA 1.41 -3.095 0 N-CA-C 115.928 1.131 . . . . 18.780000000000001 115.928 167.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.46 163.2 27.28 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-O 123.183 1.468 . . . . 46.289999999999999 112.059 -174.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -66.44 146.92 54.01 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 123.575 1.655 . . . . 26.329999999999998 110.305 177.199 -63.356 -44.946 -80.69 106.936 2.113 102.516 -71.744 -65.44 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.57 -171.89 2.75 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.277 -1.328 . . . . 28.43 110.546 -172.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -63.77 137.34 58.02 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 120.467 -1.395 . . . . 40.609999999999999 109.794 -173.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 78.23 -0.18 2.61 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.58 1.175 . . . . 61.18 113.067 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -105.48 143.48 33.58 Favored 'General case' 0 C--O 1.251 1.178 0 CA-C-N 116.585 -0.28 . . . . 23.57 111.172 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -115.65 146.7 41.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.173 0.589 . . . . 26.649999999999999 111.202 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 51.0 tp -72.74 119.29 16.77 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 108.664 -0.865 . . . . 20.399999999999999 108.664 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 10.4 m -120.24 0.37 10.63 Favored 'General case' 0 CA--C 1.476 -1.902 0 O-C-N 124.796 1.31 . . . . 22.760000000000002 114.093 -172.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.44 -147.86 18.44 Favored Glycine 0 C--O 1.247 0.937 0 N-CA-C 106.856 -2.498 . . . . 17.359999999999999 106.856 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' VAL . . . . . . . . . . . . . 33.2 m -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--O 1.247 0.94 0 CA-C-N 114.127 -1.037 . . . . 18.399999999999999 112.061 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 60.5 m -112.47 138.13 49.68 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.896 -1.52 . . . . 20.23 106.896 170.212 -55.803 -163.473 -82.161 102.193 2.08 107.637 -72.059 -64.068 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -130.13 137.59 50.22 Favored 'General case' 0 C--O 1.207 -1.182 0 C-N-CA 123.363 0.665 . . . . 25.039999999999999 110.129 -175.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 21.3 tt -146.07 162.63 10.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.37 -2.085 . . . . 28.489999999999998 105.37 166.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 18.3 t -54.95 123.3 13.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 118.505 -1.278 . . . . 30.98 111.526 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 2.79 86.97 Favored Glycine 0 C--O 1.258 1.653 0 N-CA-C 117.419 1.728 . . . . 24.440000000000001 117.419 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -141.43 149.02 40.46 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 121.372 -1.075 . . . . 34.880000000000003 110.891 -173.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 tp -142.02 124.98 16.15 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 108.193 -1.039 . . . . 26.09 108.193 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -123.34 159.31 29.13 Favored 'General case' 0 N--CA 1.411 -2.391 0 C-N-CA 123.746 0.818 . . . . 33.130000000000003 109.938 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -69.77 140.72 53.44 Favored 'General case' 0 C--O 1.194 -1.859 0 CA-C-O 119.268 -0.396 . . . . 22.48 111.595 167.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 43.2 tp -95.82 111.22 23.24 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.215 -1.031 . . . . 21.199999999999999 108.215 168.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.5 122.87 48.57 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.061 -1.459 . . . . 19.989999999999998 107.061 -173.34 -65.44 -71.744 -80.69 102.516 2.113 106.936 -44.946 -63.356 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' CYS . . . . . . . . . . . . . 73.9 m -125.24 146.12 49.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.248 -0.908 . . . . 23.449999999999999 111.085 -172.11 -63.21 -82.386 106.848 104.6 2.109 107.055 -100.344 -55.031 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 . . . . . 0 C--O 1.251 1.162 0 O-C-N 124.553 1.158 . . . . 72.540000000000006 110.928 -176.99 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.412 0.625 . . . . 41.93 111.645 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 46.5 m -93.03 121.28 34.21 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 104.59 -2.374 . . . . 26.66 104.59 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -122.5 147.7 46.04 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.471 0.653 . . . . 31.829999999999998 110.047 -179.157 -65.27 -87.744 108.92 107.765 2.085 107.411 -88.667 -61.643 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -131.61 146.01 51.99 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 114.357 -1.292 . . . . 34.219999999999999 109.605 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' CYS . . . . . . . . . . . . . 85.2 m -96.45 118.24 32.55 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.101 -0.64 . . . . 24.350000000000001 110.425 170.35 -59.69 -79.349 -86.507 104.705 2.086 101.666 -167.318 -48.976 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -116.09 145.14 43.27 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 123.164 1.459 . . . . 23.649999999999999 114.174 -171.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -79.74 -32.2 41.11 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 114.11 -1.404 . . . . 30.68 111.516 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.41 -158.21 24.9 Favored Glycine 0 C--O 1.258 1.598 0 CA-C-O 122.026 0.792 . . . . 18.390000000000001 111.731 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -67.15 155.42 38.82 Favored 'General case' 0 C--O 1.193 -1.896 0 CA-C-O 123.505 1.621 . . . . 34.899999999999999 110.453 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.03 147.87 51.09 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 107.901 -1.148 . . . . 23.399999999999999 107.901 169.743 -65.787 -45.997 -79.856 106.829 2.052 104.449 -69.895 -63.4 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 151.36 18.22 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.007 -0.997 . . . . 21.460000000000001 110.309 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 43.5 m -51.64 -33.56 34.03 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.22 0.95 . . . . 28.239999999999998 112.756 174.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -82.99 -2.44 55.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 115.859 1.8 . . . . 43.299999999999997 115.859 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -105.56 169.25 8.57 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 121.556 0.693 . . . . 24.68 112.089 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 14.5 m -121.09 137.27 54.74 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.996 1.319 . . . . 35.689999999999998 107.588 176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.44 118.16 11.14 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 108.5 -0.926 . . . . 28.18 108.5 171.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -119.66 1.0 11.07 Favored 'General case' 0 C--O 1.269 2.084 0 C-N-CA 120.312 -0.555 . . . . 27.289999999999999 112.088 -171.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 1' ' ' ALA . . . 148.45 -147.77 18.62 Favored Glycine 0 C--N 1.314 -0.659 0 N-CA-C 110.702 -0.959 . . . . 20.399999999999999 110.702 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.12 157.97 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 123.186 0.595 . . . . 21.289999999999999 110.355 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 m -114.6 138.95 50.03 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 125.012 1.445 . . . . 22.32 107.963 168.156 -48.976 -167.318 -86.507 101.666 2.086 104.705 -79.349 -59.69 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -128.42 141.64 51.34 Favored 'General case' 0 C--O 1.203 -1.381 0 C-N-CA 123.788 0.835 . . . . 29.16 111.562 -174.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ILE . . . . . 0.731 HD11 HD13 ' A' ' 22' ' ' ILE 0.3 0.0 OUTLIER -161.2 138.16 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.341 0 N-CA-C 105.777 -1.935 . . . . 28.16 105.777 159.888 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' SER . . . . . 0.465 ' C ' ' O ' ' D' ' 22' ' ' ILE . 19.0 t -33.22 123.33 0.4 Allowed 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 117.833 -1.547 . . . . 42.909999999999997 112.204 174.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.59 -9.18 78.04 Favored Glycine 0 N--CA 1.471 0.999 0 N-CA-C 118.325 2.09 . . . . 28.120000000000001 118.325 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.581 ' HB2' HD12 ' D' ' 22' ' ' ILE . 24.1 mtp180 -140.48 151.79 45.11 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 122.364 1.078 . . . . 59.07 109.799 -172.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 tp -135.43 144.61 46.58 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 106.604 -1.628 . . . . 27.800000000000001 106.604 168.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.57 158.44 44.38 Favored 'General case' 0 CA--C 1.471 -2.09 0 N-CA-C 108.825 -0.806 . . . . 26.379999999999999 108.825 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -72.56 141.97 48.45 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 122.023 0.916 . . . . 22.219999999999999 111.286 166.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.18 121.69 38.23 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 106.879 -1.526 . . . . 21.690000000000001 106.879 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 74.8 m -126.75 122.06 33.75 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.794 -1.187 . . . . 20.140000000000001 107.794 -169.061 -63.4 -69.895 -79.856 104.449 2.052 106.829 -45.997 -65.787 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.27 151.85 51.1 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 118.06 0.391 . . . . 28.440000000000001 111.405 -168.822 -61.643 -88.667 108.92 107.411 2.085 107.765 -87.744 -65.27 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.0 2.12 . . . . 51.740000000000002 109.291 177.153 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ' CL' . . . . . 0.455 'CL ' ' HD2' ' B' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.414 ' O ' ' HD2' ' A' ' 32' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' 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 ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 222' ' ' 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 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . 0.439 ' O ' ' NH2' ' D' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_