data_3cyo_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 3cyo _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 112.234 0.457 . . . . 68.4 112.234 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.71 -48.6 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.581 -0.848 . . . . 66.06 109.766 -175.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.8 -34.58 77.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.428 -0.582 . . . . 71.35 109.428 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.25 86.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.207 -0.452 . . . . 64.33 111.048 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' THR . 25.9 ttm-85 -63.92 -31.43 72.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.332 0.587 . . . . 69.91 110.102 178.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -55.16 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 68.93 112.122 -176.861 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.07 -52.25 64.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.274 0.472 . . . . 56.09 112.274 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.16 -33.71 67.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.814 -0.63 . . . . 53.08 111.869 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 t -70.11 -37.75 75.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 50.69 111.125 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.34 -26.56 63.43 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.414 -0.898 . . . . 47.42 113.519 175.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -67.31 -46.8 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 117.091 0.445 . . . . 51.12 110.929 169.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.08 -39.51 84.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.825 0.345 . . . . 46.2 110.214 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -66.44 -47.39 73.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.354 0.662 . . . . 54.54 110.433 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -56.04 -38.47 70.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.664 0.616 . . . . 46.4 112.664 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -64.17 -38.64 91.77 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.05 0.389 . . . . 50.92 112.05 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.23 -44.29 88.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.17 -0.468 . . . . 47.04 110.563 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -53.85 -49.25 68.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.724 -0.671 . . . . 53.09 109.616 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.19 -37.71 88.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.208 0.528 . . . . 44.69 112.062 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.9 tp -67.56 -41.68 83.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.265 -0.574 . . . . 47.47 110.762 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 75.13 109.539 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.73 71.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.558 -0.746 . . . . 45.22 110.539 171.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.59 -37.25 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.688 -0.687 . . . . 46.82 112.554 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' A' ' 73' ' ' GLN . 96.3 mt-10 -67.15 -40.31 86.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.569 -0.452 . . . . 63.1 111.529 177.103 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.83 87.01 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.914 0.709 . . . . 49.35 112.914 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.96 -24.67 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.311 0.486 . . . . 53.59 112.311 171.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -67.26 -49.64 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.395 -0.522 . . . . 54.65 111.678 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -49.61 -38.77 33.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 64.8 110.414 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.5 -35.48 60.79 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 113.564 0.95 . . . . 57.92 113.564 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.39 -37.15 82.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 59.85 110.125 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -64.31 -40.74 96.52 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.154 -0.93 . . . . 67.24 108.934 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.01 -44.98 83.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.347 -0.541 . . . . 61.38 110.481 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.5 p -64.85 -31.5 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.461 -0.896 . . . . 67.83 109.793 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.02 -47.17 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.489 -0.484 . . . . 73.92 109.728 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.62 -50.24 68.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.505 -0.554 . . . . 83.67 109.505 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.61 -59.17 10.09 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.489 -1.045 . . . . 78.78 110.489 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.7 mt -49.34 -35.25 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.079 0.466 . . . . 79.0 110.421 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -82.27 -15.36 53.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 82.38 111.782 -169.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -75.53 -16.08 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 84.85 111.818 175.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 86.37 110.876 -176.292 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 52' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.854 -0.425 . . . . 85.0 109.854 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ARG . 28.6 tt0 -72.76 -22.98 60.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.558 0.577 . . . . 85.64 112.558 -174.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -43.87 -44.69 7.09 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 111.954 0.353 . . . . 79.34 111.954 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.14 -32.1 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 81.74 110.894 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -69.44 -47.27 64.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.904 -0.589 . . . . 86.49 111.877 178.101 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.93 -38.34 85.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 81.22 110.039 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -58.62 -44.99 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 70.22 111.018 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -72.62 -36.34 68.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.152 0.501 . . . . 71.89 111.618 -177.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -62.07 -40.0 94.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 75.81 110.927 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.4 -36.13 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 63.48 111.66 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.8 m -55.43 -44.47 76.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 58.98 111.027 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -65.48 -48.67 71.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.806 -0.634 . . . . 62.93 109.308 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 tp -53.6 -47.11 70.49 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.349 -0.841 . . . . 57.81 109.656 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.98 -32.68 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 58.21 112.332 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -69.58 -32.64 71.52 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.258 -0.977 . . . . 57.06 110.122 174.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -51.39 69.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.738 . . . . 54.84 111.012 173.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.7 -37.84 88.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.209 0.448 . . . . 52.59 112.209 -176.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.55 -41.96 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.073 -0.651 . . . . 50.53 111.028 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.11 -57.15 14.06 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.758 -0.377 . . . . 68.02 111.002 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -47.27 -48.97 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.341 0.497 . . . . 63.26 112.341 174.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.1 m -60.26 -46.71 88.86 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.71 -0.396 . . . . 58.83 111.489 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' NE2' ' OE2' ' A' ' 25' ' ' GLU . 92.2 mt-30 -54.68 -39.85 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.87 110.525 176.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.48 -51.74 33.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.078 -1.082 . . . . 54.0 108.078 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -58.48 -29.62 66.36 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 112.506 0.558 . . . . 49.55 112.506 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.58 -40.25 84.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.314 -0.955 . . . . 52.48 109.632 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -68.31 -33.83 75.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.053 -0.521 . . . . 69.98 111.998 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -72.84 -43.16 62.98 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 67.58 111.909 176.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -61.72 -34.5 75.91 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.591 -0.444 . . . . 53.4 110.593 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.47 -22.76 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.594 0.59 . . . . 66.27 112.594 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -83.0 -40.78 19.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 78.15 111.081 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.23 -23.01 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 79.0 110.327 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 tp -82.16 -29.13 31.72 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.105 0.479 . . . . 63.27 110.385 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.15 18.1 2.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.985 -0.552 . . . . 71.57 109.75 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 117.683 -1.151 . . . . 70.37 109.014 174.464 . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 112.234 0.457 . . . . 68.400000000000006 112.234 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 108' ' ' HOH . 61.8 t -57.71 -48.6 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.581 -0.848 . . . . 66.060000000000002 109.766 -175.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.8 -34.58 77.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.428 -0.582 . . . . 71.349999999999994 109.428 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.25 86.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.207 -0.452 . . . . 64.329999999999998 111.048 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -63.92 -31.43 72.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.332 0.587 . . . . 69.909999999999997 110.102 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -55.16 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 68.930000000000007 112.122 -176.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.07 -52.25 64.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.274 0.472 . . . . 56.090000000000003 112.274 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.6 mt -57.16 -33.71 67.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.814 -0.63 . . . . 53.079999999999998 111.869 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 t -70.11 -37.75 75.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 50.689999999999998 111.125 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.34 -26.56 63.43 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.414 -0.898 . . . . 47.420000000000002 113.519 175.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . 0.511 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 67.4 mt -67.31 -46.8 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 117.091 0.445 . . . . 51.119999999999997 110.929 169.39 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 10' ' ' LEU . 54.6 t -62.08 -39.51 84.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.825 0.345 . . . . 46.200000000000003 110.214 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -66.44 -47.39 73.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.354 0.662 . . . . 54.539999999999999 110.433 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.4 tp60 -56.04 -38.47 70.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.664 0.616 . . . . 46.399999999999999 112.664 176.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 24.3 mt-30 -64.17 -38.64 91.77 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.05 0.389 . . . . 50.920000000000002 112.05 176.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.23 -44.29 88.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.17 -0.468 . . . . 47.039999999999999 110.563 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -53.85 -49.25 68.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.724 -0.671 . . . . 53.090000000000003 109.616 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 16' ' ' GLN . 75.2 mt -63.19 -37.71 88.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.208 0.528 . . . . 44.689999999999998 112.062 -178.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.9 tp -67.56 -41.68 83.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.265 -0.574 . . . . 47.469999999999999 110.762 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 75.129999999999995 109.539 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.73 71.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.558 -0.746 . . . . 45.219999999999999 110.539 171.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.59 -37.25 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.688 -0.687 . . . . 46.82 112.554 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' A' ' 73' ' ' GLN . 96.3 mt-10 -67.15 -40.31 86.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.569 -0.452 . . . . 63.100000000000001 111.529 177.103 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.83 87.01 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.914 0.709 . . . . 49.350000000000001 112.914 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.96 -24.67 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.311 0.486 . . . . 53.590000000000003 112.311 171.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -67.26 -49.64 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.395 -0.522 . . . . 54.649999999999999 111.678 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -49.61 -38.77 33.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 64.799999999999997 110.414 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 34' ' ' THR . 6.8 mt -75.5 -35.48 60.79 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 113.564 0.95 . . . . 57.920000000000002 113.564 -178.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.0 mt -67.39 -37.15 82.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 59.850000000000001 110.125 177.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 1.5 tp60 -64.31 -40.74 96.52 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.154 -0.93 . . . . 67.239999999999995 108.934 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.01 -44.98 83.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.347 -0.541 . . . . 61.380000000000003 110.481 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 38' ' ' ILE . 70.5 p -64.85 -31.5 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.461 -0.896 . . . . 67.829999999999998 109.793 -178.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 31' ' ' LEU . 73.9 t -67.02 -47.17 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.489 -0.484 . . . . 73.920000000000002 109.728 176.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TRP . . . . . 0.435 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 80.4 t90 -54.62 -50.24 68.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.505 -0.554 . . . . 83.670000000000002 109.505 175.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.61 -59.17 10.09 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.489 -1.045 . . . . 78.780000000000001 110.489 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 34' ' ' THR . 80.7 mt -49.34 -35.25 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.079 0.466 . . . . 79.0 110.421 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -82.27 -15.36 53.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 82.379999999999995 111.782 -169.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 36' ' ' TRP . 76.9 mm-40 -75.53 -16.08 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 84.849999999999994 111.818 175.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.8 mp . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 86.370000000000005 110.876 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . 0.748 ' HE3' ' O ' ' A' ' 117' ' ' HOH . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.854 -0.425 . . . . 85.0 109.854 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 28.6 tt0 -72.76 -22.98 60.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.558 0.577 . . . . 85.640000000000001 112.558 -174.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' O ' HG12 ' A' ' 58' ' ' ILE . 87.7 t90 -43.87 -44.69 7.09 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 111.954 0.353 . . . . 79.340000000000003 111.954 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.14 -32.1 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 81.739999999999995 110.894 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.704 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -69.44 -47.27 64.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.904 -0.589 . . . . 86.489999999999995 111.877 178.101 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.93 -38.34 85.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 81.219999999999999 110.039 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' TRP . 26.8 mm -58.62 -44.99 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 70.219999999999999 111.018 178.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -72.62 -36.34 68.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.152 0.501 . . . . 71.890000000000001 111.618 -177.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -62.07 -40.0 94.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 75.810000000000002 110.927 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.4 -36.13 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 63.479999999999997 111.66 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.8 m -55.43 -44.47 76.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 58.979999999999997 111.027 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -65.48 -48.67 71.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.806 -0.634 . . . . 62.93 109.308 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 18.3 tp -53.6 -47.11 70.49 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.349 -0.841 . . . . 57.810000000000002 109.656 -179.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.98 -32.68 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 58.210000000000001 112.332 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -69.58 -32.64 71.52 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.258 -0.977 . . . . 57.060000000000002 110.122 174.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -51.39 69.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.738 . . . . 54.840000000000003 111.012 173.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 71.0 mt -64.7 -37.84 88.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.209 0.448 . . . . 52.590000000000003 112.209 -176.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.55 -41.96 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.073 -0.651 . . . . 50.530000000000001 111.028 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.11 -57.15 14.06 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.758 -0.377 . . . . 68.019999999999996 111.002 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -47.27 -48.97 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.341 0.497 . . . . 63.259999999999998 112.341 174.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.1 m -60.26 -46.71 88.86 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.71 -0.396 . . . . 58.829999999999998 111.489 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' NE2' ' OE2' ' A' ' 25' ' ' GLU . 92.2 mt-30 -54.68 -39.85 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.870000000000005 110.525 176.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.48 -51.74 33.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.078 -1.082 . . . . 54.0 108.078 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -58.48 -29.62 66.36 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 112.506 0.558 . . . . 49.549999999999997 112.506 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.58 -40.25 84.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.314 -0.955 . . . . 52.479999999999997 109.632 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 72.6 mt-10 -68.31 -33.83 75.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.053 -0.521 . . . . 69.980000000000004 111.998 -178.349 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -72.84 -43.16 62.98 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 67.579999999999998 111.909 176.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -61.72 -34.5 75.91 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.591 -0.444 . . . . 53.399999999999999 110.593 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.47 -22.76 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.594 0.59 . . . . 66.269999999999996 112.594 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 81' ' ' GLN . 9.1 tp60 -83.0 -40.78 19.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 78.150000000000006 111.081 178.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.23 -23.01 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 79.0 110.327 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 tp -82.16 -29.13 31.72 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.105 0.479 . . . . 63.270000000000003 110.385 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.2 tp -84.15 18.1 2.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.985 -0.552 . . . . 71.569999999999993 109.75 175.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 117.683 -1.151 . . . . 70.370000000000005 109.014 174.464 . . . . . . . . 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 . . . . . 0.56 ' O ' ' HB ' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.748 ' O ' ' HE3' ' A' ' 52' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 112.234 0.457 . . . . 68.400000000000006 112.234 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 108' ' ' HOH . 61.8 t -57.71 -48.6 83.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.581 -0.848 . . . . 66.060000000000002 109.766 -175.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.8 -34.58 77.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.428 -0.582 . . . . 71.349999999999994 109.428 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.25 86.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.207 -0.452 . . . . 64.329999999999998 111.048 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm-85 -63.92 -31.43 72.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.332 0.587 . . . . 69.909999999999997 110.102 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -55.16 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 68.930000000000007 112.122 -176.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.07 -52.25 64.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.274 0.472 . . . . 56.090000000000003 112.274 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.6 mt -57.16 -33.71 67.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.814 -0.63 . . . . 53.079999999999998 111.869 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 t -70.11 -37.75 75.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 50.689999999999998 111.125 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.34 -26.56 63.43 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.414 -0.898 . . . . 47.420000000000002 113.519 175.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.511 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 67.4 mt -67.31 -46.8 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 117.091 0.445 . . . . 51.119999999999997 110.929 169.39 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 10' ' ' LEU . 54.6 t -62.08 -39.51 84.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.825 0.345 . . . . 46.200000000000003 110.214 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -66.44 -47.39 73.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.354 0.662 . . . . 54.539999999999999 110.433 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.4 tp60 -56.04 -38.47 70.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.664 0.616 . . . . 46.399999999999999 112.664 176.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 24.3 mt-30 -64.17 -38.64 91.77 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.05 0.389 . . . . 50.920000000000002 112.05 176.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.23 -44.29 88.69 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.17 -0.468 . . . . 47.039999999999999 110.563 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -53.85 -49.25 68.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.724 -0.671 . . . . 53.090000000000003 109.616 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 16' ' ' GLN . 75.2 mt -63.19 -37.71 88.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.208 0.528 . . . . 44.689999999999998 112.062 -178.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.9 tp -67.56 -41.68 83.82 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.265 -0.574 . . . . 47.469999999999999 110.762 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -68.33 -36.18 78.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 75.129999999999995 109.539 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.73 71.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.558 -0.746 . . . . 45.219999999999999 110.539 171.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.59 -37.25 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.688 -0.687 . . . . 46.82 112.554 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' A' ' 73' ' ' GLN . 96.3 mt-10 -67.15 -40.31 86.68 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.569 -0.452 . . . . 63.100000000000001 111.529 177.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.83 87.01 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.914 0.709 . . . . 49.350000000000001 112.914 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.96 -24.67 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.311 0.486 . . . . 53.590000000000003 112.311 171.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -67.26 -49.64 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.395 -0.522 . . . . 54.649999999999999 111.678 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -49.61 -38.77 33.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.834 0.35 . . . . 64.799999999999997 110.414 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 34' ' ' THR . 6.8 mt -75.5 -35.48 60.79 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 113.564 0.95 . . . . 57.920000000000002 113.564 -178.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.0 mt -67.39 -37.15 82.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 59.850000000000001 110.125 177.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 1.5 tp60 -64.31 -40.74 96.52 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.154 -0.93 . . . . 67.239999999999995 108.934 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.01 -44.98 83.16 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.347 -0.541 . . . . 61.380000000000003 110.481 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 38' ' ' ILE . 70.5 p -64.85 -31.5 72.76 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.461 -0.896 . . . . 67.829999999999998 109.793 -178.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 31' ' ' LEU . 73.9 t -67.02 -47.17 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.489 -0.484 . . . . 73.920000000000002 109.728 176.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.435 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 80.4 t90 -54.62 -50.24 68.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.505 -0.554 . . . . 83.670000000000002 109.505 175.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.61 -59.17 10.09 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.489 -1.045 . . . . 78.780000000000001 110.489 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 34' ' ' THR . 80.7 mt -49.34 -35.25 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.079 0.466 . . . . 79.0 110.421 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -82.27 -15.36 53.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 82.379999999999995 111.782 -169.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 36' ' ' TRP . 76.9 mm-40 -75.53 -16.08 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 84.849999999999994 111.818 175.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.8 mp . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 86.370000000000005 110.876 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . 0.748 ' HE3' ' O ' ' A' ' 117' ' ' HOH . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.854 -0.425 . . . . 85.0 109.854 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 28.6 tt0 -72.76 -22.98 60.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.558 0.577 . . . . 85.640000000000001 112.558 -174.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' O ' HG12 ' A' ' 58' ' ' ILE . 87.7 t90 -43.87 -44.69 7.09 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 111.954 0.353 . . . . 79.340000000000003 111.954 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.14 -32.1 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 81.739999999999995 110.894 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.704 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -69.44 -47.27 64.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.904 -0.589 . . . . 86.489999999999995 111.877 178.101 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.93 -38.34 85.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 81.219999999999999 110.039 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' TRP . 26.8 mm -58.62 -44.99 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 70.219999999999999 111.018 178.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -72.62 -36.34 68.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.152 0.501 . . . . 71.890000000000001 111.618 -177.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -62.07 -40.0 94.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 75.810000000000002 110.927 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.4 -36.13 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 63.479999999999997 111.66 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.8 m -55.43 -44.47 76.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 58.979999999999997 111.027 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -65.48 -48.67 71.83 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.806 -0.634 . . . . 62.93 109.308 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 18.3 tp -53.6 -47.11 70.49 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.349 -0.841 . . . . 57.810000000000002 109.656 -179.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.98 -32.68 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 58.210000000000001 112.332 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -69.58 -32.64 71.52 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.258 -0.977 . . . . 57.060000000000002 110.122 174.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -51.39 69.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.738 . . . . 54.840000000000003 111.012 173.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 71.0 mt -64.7 -37.84 88.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.209 0.448 . . . . 52.590000000000003 112.209 -176.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -62.55 -41.96 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.073 -0.651 . . . . 50.530000000000001 111.028 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.11 -57.15 14.06 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.758 -0.377 . . . . 68.019999999999996 111.002 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -47.27 -48.97 24.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.341 0.497 . . . . 63.259999999999998 112.341 174.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.1 m -60.26 -46.71 88.86 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.71 -0.396 . . . . 58.829999999999998 111.489 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' NE2' ' OE2' ' A' ' 25' ' ' GLU . 92.2 mt-30 -54.68 -39.85 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 64.870000000000005 110.525 176.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.48 -51.74 33.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.078 -1.082 . . . . 54.0 108.078 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -58.48 -29.62 66.36 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 112.506 0.558 . . . . 49.549999999999997 112.506 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.58 -40.25 84.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.314 -0.955 . . . . 52.479999999999997 109.632 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 72.6 mt-10 -68.31 -33.83 75.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.053 -0.521 . . . . 69.980000000000004 111.998 -178.349 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -72.84 -43.16 62.98 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 67.579999999999998 111.909 176.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -61.72 -34.5 75.91 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.591 -0.444 . . . . 53.399999999999999 110.593 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -74.47 -22.76 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.594 0.59 . . . . 66.269999999999996 112.594 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 81' ' ' GLN . 9.1 tp60 -83.0 -40.78 19.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 78.150000000000006 111.081 178.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.23 -23.01 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 79.0 110.327 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 tp -82.16 -29.13 31.72 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.105 0.479 . . . . 63.270000000000003 110.385 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.2 tp -84.15 18.1 2.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.985 -0.552 . . . . 71.569999999999993 109.75 175.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 117.683 -1.151 . . . . 70.370000000000005 109.014 174.464 . . . . . . . . 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 . . . . . 0.56 ' O ' ' HB ' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.748 ' O ' ' HE3' ' A' ' 52' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_