data_3pdv_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 3pdv _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' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 122' ' ' HOH . 29.0 ttp . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 112.665 0.617 . . . . 29.050000000000001 112.665 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.72 133.0 36.33 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.454 -0.794 . . . . 26.18 110.771 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.43 161.77 40.92 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.235 1.198 . . . . 28.280000000000001 114.235 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.2 m -123.66 111.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.366 -0.975 . . . . 31.5 108.366 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -109.86 129.06 65.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 116.299 -0.41 . . . . 32.630000000000003 110.838 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.09 119.93 40.01 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 109.59 -0.522 . . . . 38.229999999999997 109.59 173.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.1 t -101.75 122.85 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.229 -0.441 . . . . 34.789999999999999 110.515 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 137.42 48.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 35.189999999999998 110.183 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.8 -156.13 10.86 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 116.518 1.367 . . . . 34.990000000000002 116.518 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.14 -173.13 9.72 Favored 'Cis proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.987 -1.255 . . . . 35.390000000000001 111.082 2.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.19 150.24 84.78 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-O 119.139 -0.458 . . . . 33.25 110.28 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.0 131.96 23.6 Favored 'Cis proline' 0 C--N 1.359 1.08 0 N-CA-C 114.863 1.063 . . . . 30.710000000000001 114.863 10.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -73.93 -32.28 63.44 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.916 1.08 . . . . 27.300000000000001 113.916 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.03 40.46 7.04 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 114.26 0.464 . . . . 24.73 114.26 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -148.13 172.74 13.82 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.892 0.346 . . . . 22.32 111.342 169.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 -124.88 145.81 49.63 Favored 'General case' 0 CA--C 1.514 -0.409 0 O-C-N 123.31 0.381 . . . . 40.899999999999999 110.72 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 pt -120.34 149.59 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 113.013 0.745 . . . . 21.629999999999999 113.013 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -122.94 162.6 21.96 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.231 -0.655 . . . . 21.809999999999999 109.231 170.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.78 -174.09 44.1 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 116.422 1.329 . . . . 22.359999999999999 116.422 170.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.23 171.29 12.59 Favored Glycine 0 N--CA 1.46 0.291 0 N-CA-C 110.044 -1.223 . . . . 24.989999999999998 110.044 -177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -59.04 -37.04 76.05 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.752 1.019 . . . . 38.450000000000003 113.752 -176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 3.5 p-10 -67.6 -19.03 65.19 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.769 1.026 . . . . 31.399999999999999 113.769 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -102.46 -1.2 31.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.37 -0.233 . . . . 27.23 110.37 173.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.1 m80 60.41 28.52 18.17 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.492 0.717 . . . . 32.039999999999999 112.511 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -128.75 160.01 65.25 Favored Pre-proline 0 C--O 1.238 0.479 0 CA-C-N 114.85 -1.068 . . . . 24.469999999999999 109.818 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.47 160.64 44.1 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 120.389 0.726 . . . . 23.309999999999999 111.934 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.8 mm -74.76 124.29 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 107.535 -1.283 . . . . 21.98 107.535 172.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 46.3 ttm -134.15 137.03 44.22 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.321 0.859 . . . . 27.350000000000001 113.321 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.9 t -70.15 129.94 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.884 -0.784 . . . . 23.899999999999999 108.884 172.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.1 p -114.01 -15.81 12.25 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.97 1.1 . . . . 26.309999999999999 113.97 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -161.93 136.01 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.588 -0.893 . . . . 34.399999999999999 108.588 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.69 122.42 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.713 -0.847 . . . . 33.490000000000002 108.713 171.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.67 131.53 49.29 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.08 -0.509 . . . . 37.729999999999997 110.687 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -60.7 -41.4 95.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.044 0.757 . . . . 45.289999999999999 113.044 -176.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . . . -103.38 104.48 14.59 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 106.744 -1.576 . . . . 41.840000000000003 106.744 169.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.71 168.75 35.83 Favored Glycine 0 C--O 1.235 0.174 0 CA-C-N 115.949 -0.569 . . . . 41.200000000000003 112.763 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -70.21 -32.56 70.5 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.788 1.033 . . . . 42.759999999999998 113.788 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.77 -25.39 62.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 113.188 0.81 . . . . 40.899999999999999 113.188 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -67.05 -40.13 87.07 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.859 0.362 . . . . 41.369999999999997 110.763 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -68.09 -33.29 74.26 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.997 -0.547 . . . . 42.32 110.876 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.18 -3.48 52.35 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 114.847 1.425 . . . . 39.5 114.847 -166.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 76.74 40.27 0.21 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.323 0.582 . . . . 40.149999999999999 112.113 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -104.1 141.26 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.367 -0.975 . . . . 33.770000000000003 108.367 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -127.98 135.83 28.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 112.532 0.568 . . . . 33.539999999999999 112.532 -170.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.53 130.27 21.56 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.573 1.515 . . . . 27.690000000000001 111.779 172.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 -15.55 59.3 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.9 -0.666 . . . . 25.539999999999999 114.561 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.46 129.4 41.85 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 108.995 -0.742 . . . . 22.800000000000001 108.995 173.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -86.48 131.36 34.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.39 -0.596 . . . . 22.710000000000001 109.39 170.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.3 mt -89.8 106.02 16.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.388 -0.597 . . . . 20.829999999999998 109.388 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.6 t -80.09 -34.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 114.662 -1.154 . . . . 21.579999999999998 110.252 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.66 143.81 22.17 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.005 0.431 . . . . 21.07 111.382 -175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 mt -117.06 117.54 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.267 -0.879 . . . . 22.5 109.783 177.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 48.49 44.42 20.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.828 0.851 . . . . 24.16 112.303 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.94 -5.0 72.69 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 116.152 1.221 . . . . 25.41 116.152 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -100.13 131.77 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.303 0.552 . . . . 31.57 110.77 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -59.34 133.48 56.14 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.699 0.259 . . . . 29.73 111.699 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.48 -2.92 57.07 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.544 0.572 . . . . 31.129999999999999 112.544 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.5 -48.54 65.91 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.815 1.413 . . . . 39.640000000000001 114.815 -170.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.5 14.31 56.56 Favored Glycine 0 N--CA 1.459 0.209 0 N-CA-C 114.973 0.749 . . . . 30.91 114.973 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 57.3 mtt -75.79 138.42 41.17 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 117.183 0.491 . . . . 27.859999999999999 111.296 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.77 157.73 37.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.781 -1.192 . . . . 27.170000000000002 107.781 171.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -48.64 -58.7 4.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.042 -0.663 . . . . 24.739999999999998 112.573 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.49 -32.72 70.53 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.017 0.747 . . . . 24.75 113.017 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -65.17 -51.43 61.16 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.539 0.57 . . . . 32.200000000000003 112.539 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.25 87.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.781 0.324 . . . . 23.84 111.147 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.5 -47.72 83.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.014 -0.539 . . . . 22.550000000000001 110.117 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.9 t -69.69 -39.62 76.82 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 112.993 0.738 . . . . 25.25 112.993 -177.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.22 -37.76 88.63 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.26 0.467 . . . . 27.93 112.26 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.36 -45.29 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.057 0.543 . . . . 23.02 111.332 176.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.39 -28.91 63.29 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.88 0.696 . . . . 34.93 112.88 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -86.53 -3.8 59.07 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.343 0.868 . . . . 30.77 113.343 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 t -65.84 143.62 98.57 Favored Pre-proline 0 N--CA 1.468 0.427 0 N-CA-C 114.12 1.156 . . . . 25.309999999999999 114.12 -171.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.6 171.24 12.25 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 120.748 0.965 . . . . 25.289999999999999 110.926 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.0 m -97.66 136.02 21.4 Favored Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.344 0.403 . . . . 28.850000000000001 110.292 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.47 160.46 77.21 Favored 'Cis proline' 0 C--O 1.243 0.756 0 O-C-N 122.77 0.879 . . . . 26.66 113.791 -2.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.5 119.75 22.24 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.697 -1.223 . . . . 25.260000000000002 107.697 170.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . . . -99.97 113.18 25.57 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.339 0.59 . . . . 23.420000000000002 111.118 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.4 mt -112.49 130.57 55.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.452 -0.794 . . . . 22.010000000000002 110.145 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -92.94 127.17 38.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.922 -1.14 . . . . 26.699999999999999 107.922 164.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -125.31 153.67 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.852 0.686 . . . . 21.699999999999999 112.852 -168.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -121.13 122.37 39.87 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.653 -1.24 . . . . 25.18 107.653 166.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -115.93 137.7 51.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 23.719999999999999 111.06 -173.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 t -89.3 112.81 23.98 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.855 -0.611 . . . . 26.25 110.639 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.9 p -86.82 155.67 20.19 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.938 0.495 . . . . 28.02 111.703 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.6 pt -121.08 152.7 24.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 113.136 0.791 . . . . 30.25 113.136 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -131.0 130.88 43.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.314 -0.857 . . . . 34.630000000000003 109.478 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -118.98 139.18 52.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 O-C-N 123.528 0.517 . . . . 28.739999999999998 111.155 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -84.68 138.01 32.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.094 -1.076 . . . . 41.090000000000003 108.094 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 121.245 0.545 . . . . 29.449999999999999 112.12 178.983 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.838 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 ttp . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 112.665 0.617 . . . . 29.05 112.665 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.72 133.0 36.33 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.454 -0.794 . . . . 26.18 110.771 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -148.43 161.77 40.92 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.235 1.198 . . . . 28.28 114.235 174.235 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.2 m -123.66 111.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.366 -0.975 . . . . 31.5 108.366 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -109.86 129.06 65.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 116.299 -0.41 . . . . 32.63 110.838 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.09 119.93 40.01 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 109.59 -0.522 . . . . 38.23 109.59 173.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.1 t -101.75 122.85 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.229 -0.441 . . . . 34.79 110.515 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 137.42 48.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 35.19 110.183 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.8 -156.13 10.86 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 116.518 1.367 . . . . 34.99 116.518 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.14 -173.13 9.72 Favored 'Cis proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.987 -1.255 . . . . 35.39 111.082 2.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.19 150.24 84.78 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-O 119.139 -0.458 . . . . 33.25 110.28 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.0 131.96 23.6 Favored 'Cis proline' 0 C--N 1.359 1.08 0 N-CA-C 114.863 1.063 . . . . 30.71 114.863 10.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -73.93 -32.28 63.44 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.916 1.08 . . . . 27.3 113.916 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.03 40.46 7.04 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 114.26 0.464 . . . . 24.73 114.26 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -148.13 172.74 13.82 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.892 0.346 . . . . 22.32 111.342 169.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 -124.88 145.81 49.63 Favored 'General case' 0 CA--C 1.514 -0.409 0 O-C-N 123.31 0.381 . . . . 40.9 110.72 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 pt -120.34 149.59 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 113.013 0.745 . . . . 21.63 113.013 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -122.94 162.6 21.96 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.231 -0.655 . . . . 21.81 109.231 170.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.78 -174.09 44.1 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 116.422 1.329 . . . . 22.36 116.422 170.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.23 171.29 12.59 Favored Glycine 0 N--CA 1.46 0.291 0 N-CA-C 110.044 -1.223 . . . . 24.99 110.044 -177.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -59.04 -37.04 76.05 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.752 1.019 . . . . 38.45 113.752 -176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.5 p-10 -67.6 -19.03 65.19 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.769 1.026 . . . . 31.4 113.769 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -102.46 -1.2 31.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.37 -0.233 . . . . 27.23 110.37 173.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.1 m80 60.41 28.52 18.17 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.492 0.717 . . . . 32.04 112.511 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' HD2' ' A' ' 26' ' ' PRO . 69.3 p -128.75 160.01 65.25 Favored Pre-proline 0 C--O 1.238 0.479 0 CA-C-N 114.85 -1.068 . . . . 24.47 109.818 -179.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 25' ' ' THR . 93.1 Cg_endo -73.47 160.64 44.1 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 120.389 0.726 . . . . 23.31 111.934 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.8 mm -74.76 124.29 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 107.535 -1.283 . . . . 21.98 107.535 172.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 46.3 ttm -134.15 137.03 44.22 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.321 0.859 . . . . 27.35 113.321 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.9 t -70.15 129.94 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.884 -0.784 . . . . 23.9 108.884 172.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.1 p -114.01 -15.81 12.25 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.97 1.1 . . . . 26.31 113.97 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -161.93 136.01 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.588 -0.893 . . . . 34.4 108.588 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.69 122.42 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.713 -0.847 . . . . 33.49 108.713 171.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.67 131.53 49.29 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.08 -0.509 . . . . 37.73 110.687 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -60.7 -41.4 95.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.044 0.757 . . . . 45.29 113.044 -176.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . . . -103.38 104.48 14.59 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 106.744 -1.576 . . . . 41.84 106.744 169.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.71 168.75 35.83 Favored Glycine 0 C--O 1.235 0.174 0 CA-C-N 115.949 -0.569 . . . . 41.2 112.763 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -70.21 -32.56 70.5 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.788 1.033 . . . . 42.76 113.788 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.77 -25.39 62.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 113.188 0.81 . . . . 40.9 113.188 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -67.05 -40.13 87.07 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.859 0.362 . . . . 41.37 110.763 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -68.09 -33.29 74.26 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.997 -0.547 . . . . 42.32 110.876 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 42' ' ' ASP . . . -81.18 -3.48 52.35 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 114.847 1.425 . . . . 39.5 114.847 -166.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 93.0 m-20 76.74 40.27 0.21 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.323 0.582 . . . . 40.15 112.113 178.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -104.1 141.26 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.367 -0.975 . . . . 33.77 108.367 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -127.98 135.83 28.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 112.532 0.568 . . . . 33.54 112.532 -170.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.53 130.27 21.56 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.573 1.515 . . . . 27.69 111.779 172.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 -15.55 59.3 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.9 -0.666 . . . . 25.54 114.561 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.46 129.4 41.85 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 108.995 -0.742 . . . . 22.8 108.995 173.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -86.48 131.36 34.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.39 -0.596 . . . . 22.71 109.39 170.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.3 mt -89.8 106.02 16.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.388 -0.597 . . . . 20.83 109.388 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.6 t -80.09 -34.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 114.662 -1.154 . . . . 21.58 110.252 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 79' ' ' GLN . . . -153.66 143.81 22.17 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.005 0.431 . . . . 21.07 111.382 -175.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 mt -117.06 117.54 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.267 -0.879 . . . . 22.5 109.783 177.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 48.49 44.42 20.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.828 0.851 . . . . 24.16 112.303 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.94 -5.0 72.69 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 116.152 1.221 . . . . 25.41 116.152 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -100.13 131.77 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.303 0.552 . . . . 31.57 110.77 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -59.34 133.48 56.14 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.699 0.259 . . . . 29.73 111.699 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.48 -2.92 57.07 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.544 0.572 . . . . 31.13 112.544 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.5 -48.54 65.91 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.815 1.413 . . . . 39.64 114.815 -170.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.5 14.31 56.56 Favored Glycine 0 N--CA 1.459 0.209 0 N-CA-C 114.973 0.749 . . . . 30.91 114.973 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 57.3 mtt -75.79 138.42 41.17 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 117.183 0.491 . . . . 27.86 111.296 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.77 157.73 37.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.781 -1.192 . . . . 27.17 107.781 171.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -48.64 -58.7 4.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.042 -0.663 . . . . 24.74 112.573 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.49 -32.72 70.53 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.017 0.747 . . . . 24.75 113.017 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -65.17 -51.43 61.16 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.539 0.57 . . . . 32.2 112.539 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.25 87.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.781 0.324 . . . . 23.84 111.147 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . 0.423 HE22 ' HD2' ' A' ' 70' ' ' ARG . 54.5 tt0 -58.5 -47.72 83.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.014 -0.539 . . . . 24.2 110.117 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.9 t -69.69 -39.62 76.82 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 112.993 0.738 . . . . 25.25 112.993 -177.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.22 -37.76 88.63 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.26 0.467 . . . . 27.93 112.26 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.36 -45.29 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.057 0.543 . . . . 23.02 111.332 176.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HE22 ' A' ' 66' ' ' GLN . 10.1 mtp180 -72.39 -28.91 63.29 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.88 0.696 . . . . 34.93 112.88 -177.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -86.53 -3.8 59.07 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.343 0.868 . . . . 30.77 113.343 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 t -65.84 143.62 98.57 Favored Pre-proline 0 N--CA 1.468 0.427 0 N-CA-C 114.12 1.156 . . . . 25.31 114.12 -171.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.6 171.24 12.25 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 120.748 0.965 . . . . 25.29 110.926 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.0 m -97.66 136.02 21.4 Favored Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.344 0.403 . . . . 28.85 110.292 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.47 160.46 77.21 Favored 'Cis proline' 0 C--O 1.243 0.756 0 O-C-N 122.77 0.879 . . . . 26.66 113.791 -2.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.5 119.75 22.24 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.697 -1.223 . . . . 25.26 107.697 170.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . . . -99.97 113.18 25.57 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.339 0.59 . . . . 23.42 111.118 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.4 mt -112.49 130.57 55.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.452 -0.794 . . . . 22.01 110.145 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 48.7 tp60 -92.94 127.17 38.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.922 -1.14 . . . . 26.7 107.922 164.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . 0.754 ' HB2' HD13 ' A' ' 3' ' ' LEU . 58.2 mt -125.31 153.67 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.852 0.686 . . . . 21.7 112.852 -168.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -121.13 122.37 39.87 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.653 -1.24 . . . . 25.18 107.653 166.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -115.93 137.7 51.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 23.72 111.06 -173.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 t -89.3 112.81 23.98 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.855 -0.611 . . . . 26.25 110.639 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.9 p -86.82 155.67 20.19 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.938 0.495 . . . . 28.02 111.703 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.6 pt -121.08 152.7 24.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 113.136 0.791 . . . . 30.25 113.136 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -131.0 130.88 43.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.314 -0.857 . . . . 34.63 109.478 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -118.98 139.18 52.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 O-C-N 123.528 0.517 . . . . 28.74 111.155 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 118' ' ' HOH . 2.2 tt0 -84.68 138.01 32.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.094 -1.076 . . . . 41.09 108.094 178.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 121.245 0.545 . . . . 29.45 112.12 178.983 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . 0.462 ' O ' ' HB3' ' A' ' 42' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 ttp . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 112.665 0.617 . . . . 29.050000000000001 112.665 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.72 133.0 36.33 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.454 -0.794 . . . . 26.18 110.771 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -148.43 161.77 40.92 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.235 1.198 . . . . 28.280000000000001 114.235 174.235 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.2 m -123.66 111.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.366 -0.975 . . . . 31.5 108.366 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -109.86 129.06 65.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 116.299 -0.41 . . . . 32.630000000000003 110.838 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.09 119.93 40.01 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 109.59 -0.522 . . . . 38.229999999999997 109.59 173.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.1 t -101.75 122.85 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.229 -0.441 . . . . 34.789999999999999 110.515 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 137.42 48.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 35.189999999999998 110.183 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.8 -156.13 10.86 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 116.518 1.367 . . . . 34.990000000000002 116.518 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.14 -173.13 9.72 Favored 'Cis proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.987 -1.255 . . . . 35.390000000000001 111.082 2.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.19 150.24 84.78 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-O 119.139 -0.458 . . . . 33.25 110.28 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.0 131.96 23.6 Favored 'Cis proline' 0 C--N 1.359 1.08 0 N-CA-C 114.863 1.063 . . . . 30.710000000000001 114.863 10.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -73.93 -32.28 63.44 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.916 1.08 . . . . 27.300000000000001 113.916 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.03 40.46 7.04 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 114.26 0.464 . . . . 24.73 114.26 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -148.13 172.74 13.82 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.892 0.346 . . . . 22.32 111.342 169.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 -124.88 145.81 49.63 Favored 'General case' 0 CA--C 1.514 -0.409 0 O-C-N 123.31 0.381 . . . . 40.899999999999999 110.72 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 pt -120.34 149.59 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 113.013 0.745 . . . . 21.629999999999999 113.013 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -122.94 162.6 21.96 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.231 -0.655 . . . . 21.809999999999999 109.231 170.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.78 -174.09 44.1 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 116.422 1.329 . . . . 22.359999999999999 116.422 170.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.23 171.29 12.59 Favored Glycine 0 N--CA 1.46 0.291 0 N-CA-C 110.044 -1.223 . . . . 24.989999999999998 110.044 -177.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -59.04 -37.04 76.05 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.752 1.019 . . . . 38.450000000000003 113.752 -176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.5 p-10 -67.6 -19.03 65.19 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.769 1.026 . . . . 31.399999999999999 113.769 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -102.46 -1.2 31.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 110.37 -0.233 . . . . 27.23 110.37 173.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.1 m80 60.41 28.52 18.17 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.492 0.717 . . . . 32.039999999999999 112.511 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' HD2' ' A' ' 26' ' ' PRO . 69.3 p -128.75 160.01 65.25 Favored Pre-proline 0 C--O 1.238 0.479 0 CA-C-N 114.85 -1.068 . . . . 24.469999999999999 109.818 -179.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 25' ' ' THR . 93.1 Cg_endo -73.47 160.64 44.1 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 120.389 0.726 . . . . 23.309999999999999 111.934 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.8 mm -74.76 124.29 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 107.535 -1.283 . . . . 21.98 107.535 172.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 46.3 ttm -134.15 137.03 44.22 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.321 0.859 . . . . 27.350000000000001 113.321 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.9 t -70.15 129.94 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.884 -0.784 . . . . 23.899999999999999 108.884 172.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.1 p -114.01 -15.81 12.25 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.97 1.1 . . . . 26.309999999999999 113.97 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -161.93 136.01 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.588 -0.893 . . . . 34.399999999999999 108.588 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.69 122.42 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.713 -0.847 . . . . 33.490000000000002 108.713 171.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.67 131.53 49.29 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.08 -0.509 . . . . 37.729999999999997 110.687 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -60.7 -41.4 95.1 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.044 0.757 . . . . 45.289999999999999 113.044 -176.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . . . -103.38 104.48 14.59 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 106.744 -1.576 . . . . 41.840000000000003 106.744 169.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.71 168.75 35.83 Favored Glycine 0 C--O 1.235 0.174 0 CA-C-N 115.949 -0.569 . . . . 41.200000000000003 112.763 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -70.21 -32.56 70.5 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.788 1.033 . . . . 42.759999999999998 113.788 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.77 -25.39 62.87 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 113.188 0.81 . . . . 40.899999999999999 113.188 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -67.05 -40.13 87.07 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.859 0.362 . . . . 41.369999999999997 110.763 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -68.09 -33.29 74.26 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.997 -0.547 . . . . 42.32 110.876 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 42' ' ' ASP . . . -81.18 -3.48 52.35 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 114.847 1.425 . . . . 39.5 114.847 -166.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 93.0 m-20 76.74 40.27 0.21 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.323 0.582 . . . . 40.149999999999999 112.113 178.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -104.1 141.26 36.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.367 -0.975 . . . . 33.770000000000003 108.367 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -127.98 135.83 28.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 112.532 0.568 . . . . 33.539999999999999 112.532 -170.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -48.53 130.27 21.56 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.573 1.515 . . . . 27.690000000000001 111.779 172.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 -15.55 59.3 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.9 -0.666 . . . . 25.539999999999999 114.561 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.46 129.4 41.85 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 108.995 -0.742 . . . . 22.800000000000001 108.995 173.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.3 mt -86.48 131.36 34.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.39 -0.596 . . . . 22.710000000000001 109.39 170.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.3 mt -89.8 106.02 16.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.388 -0.597 . . . . 20.829999999999998 109.388 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.6 t -80.09 -34.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 114.662 -1.154 . . . . 21.579999999999998 110.252 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 79' ' ' GLN . . . -153.66 143.81 22.17 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.005 0.431 . . . . 21.07 111.382 -175.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 mt -117.06 117.54 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.267 -0.879 . . . . 22.5 109.783 177.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 48.49 44.42 20.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.828 0.851 . . . . 24.16 112.303 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.94 -5.0 72.69 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 116.152 1.221 . . . . 25.41 116.152 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -100.13 131.77 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.303 0.552 . . . . 31.57 110.77 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -59.34 133.48 56.14 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.699 0.259 . . . . 29.73 111.699 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.48 -2.92 57.07 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.544 0.572 . . . . 31.129999999999999 112.544 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.5 -48.54 65.91 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.815 1.413 . . . . 39.640000000000001 114.815 -170.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.5 14.31 56.56 Favored Glycine 0 N--CA 1.459 0.209 0 N-CA-C 114.973 0.749 . . . . 30.91 114.973 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 57.3 mtt -75.79 138.42 41.17 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 117.183 0.491 . . . . 27.859999999999999 111.296 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.77 157.73 37.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.781 -1.192 . . . . 27.170000000000002 107.781 171.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -48.64 -58.7 4.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.042 -0.663 . . . . 24.739999999999998 112.573 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.49 -32.72 70.53 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.017 0.747 . . . . 24.75 113.017 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -65.17 -51.43 61.16 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.539 0.57 . . . . 32.200000000000003 112.539 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.25 87.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.781 0.324 . . . . 23.84 111.147 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.423 HE22 ' HD2' ' A' ' 70' ' ' ARG . 54.5 tt0 -58.5 -47.72 83.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.014 -0.539 . . . . 24.199999999999999 110.117 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.9 t -69.69 -39.62 76.82 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 112.993 0.738 . . . . 25.25 112.993 -177.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.22 -37.76 88.63 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.26 0.467 . . . . 27.93 112.26 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.36 -45.29 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.057 0.543 . . . . 23.02 111.332 176.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HE22 ' A' ' 66' ' ' GLN . 10.1 mtp180 -72.39 -28.91 63.29 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.88 0.696 . . . . 34.93 112.88 -177.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -86.53 -3.8 59.07 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.343 0.868 . . . . 30.77 113.343 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 t -65.84 143.62 98.57 Favored Pre-proline 0 N--CA 1.468 0.427 0 N-CA-C 114.12 1.156 . . . . 25.309999999999999 114.12 -171.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.6 171.24 12.25 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 120.748 0.965 . . . . 25.289999999999999 110.926 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.0 m -97.66 136.02 21.4 Favored Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.344 0.403 . . . . 28.850000000000001 110.292 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.47 160.46 77.21 Favored 'Cis proline' 0 C--O 1.243 0.756 0 O-C-N 122.77 0.879 . . . . 26.66 113.791 -2.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.5 119.75 22.24 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.697 -1.223 . . . . 25.260000000000002 107.697 170.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . . . -99.97 113.18 25.57 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.339 0.59 . . . . 23.420000000000002 111.118 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.4 mt -112.49 130.57 55.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.452 -0.794 . . . . 22.010000000000002 110.145 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 6.0 tp-100 -92.94 127.17 38.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.922 -1.14 . . . . 26.699999999999999 107.922 164.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.754 ' HB2' HD13 ' A' ' 3' ' ' LEU . 58.2 mt -125.31 153.67 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.852 0.686 . . . . 21.699999999999999 112.852 -168.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -121.13 122.37 39.87 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.653 -1.24 . . . . 25.18 107.653 166.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -115.93 137.7 51.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 23.719999999999999 111.06 -173.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 t -89.3 112.81 23.98 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.855 -0.611 . . . . 26.25 110.639 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.9 p -86.82 155.67 20.19 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.938 0.495 . . . . 28.02 111.703 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.6 pt -121.08 152.7 24.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 113.136 0.791 . . . . 30.25 113.136 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -131.0 130.88 43.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.314 -0.857 . . . . 34.630000000000003 109.478 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -118.98 139.18 52.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 O-C-N 123.528 0.517 . . . . 28.739999999999998 111.155 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 118' ' ' HOH . 2.2 tt0 -84.68 138.01 32.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.094 -1.076 . . . . 41.090000000000003 108.094 178.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 121.245 0.545 . . . . 29.449999999999999 112.12 178.983 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . 0.462 ' O ' ' HB3' ' A' ' 42' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_