data_5va4_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 5va4 _Structure_validation_residue.Date_analyzed 2017-11-17 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 ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.622 0.249 . . . . 115.19 111.229 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -134.48 145.31 48.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.622 -0.51 . . . . 136.05000000000001 109.622 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 37.6 t -76.77 112.45 13.36 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.942 -0.762 . . . . 94.849999999999994 108.942 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.3 68.25 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.64 -0.424 . . . . 82.980000000000004 111.772 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -79.07 -40.76 30.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.818 -0.353 . . . . 102.31 111.755 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -113.46 -11.46 13.09 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.65 0.982 . . . . 93.560000000000002 113.65 -174.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.3 23.47 74.9 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 118.743 0.701 . . . . 100.73999999999999 114.577 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -108.64 167.68 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.848 0.824 . . . . 101.18000000000001 109.849 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.73 132.12 43.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.436 -0.802 . . . . 129.81999999999999 110.797 -175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.76 97.98 8.87 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.952 -1.129 . . . . 102.31999999999999 107.952 174.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.26 3.4 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 116.526 -0.306 . . . . 92.310000000000002 111.235 -172.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt -116.36 133.94 55.45 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 109.462 -0.57 . . . . 96.030000000000001 109.462 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -111.13 118.14 35.18 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.691 -0.855 . . . . 113.56 108.691 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 28.8 t -86.98 126.99 35.09 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.724 -0.473 . . . . 100.43000000000001 109.724 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -76.28 -31.6 58.34 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.502 -0.479 . . . . 126.56 111.936 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -65.35 -40.31 93.45 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.492 -0.483 . . . . 120.33 111.494 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -102.81 -21.68 14.0 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 113.628 0.973 . . . . 111.98999999999999 113.628 -173.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.47 23.15 78.4 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.327 -0.94 . . . . 111.61 113.899 -173.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.88 153.27 22.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.748 0.774 . . . . 111.59999999999999 110.393 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.4 t -98.07 122.23 49.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.321 -1.362 . . . . 103.73 107.321 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.1 pt -132.52 172.06 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 121.759 0.79 . . . . 89.75 109.098 -169.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.3 p -101.61 174.94 5.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.977 -1.01 . . . . 83.620000000000005 109.485 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 32.1 p-90 -70.21 -28.6 65.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.856 -0.738 . . . . 92.069999999999993 111.751 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.89 -38.56 64.35 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.29 -0.564 . . . . 88.950000000000003 111.053 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -53.4 -41.67 66.19 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.365 -0.534 . . . . 81.120000000000005 110.691 170.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -61.22 -25.55 67.13 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.644 -0.422 . . . . 96.829999999999998 111.608 -177.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.06 -22.65 33.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.629 0.603 . . . . 118.25 112.629 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 p -65.68 163.75 15.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.909 0.862 . . . . 120.52 110.851 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.4 -23.42 65.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.229 -0.896 . . . . 127.12 111.71 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -57.75 -35.06 70.21 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.974 -0.29 . . . . 114.13 111.478 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -121.89 42.15 3.19 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.561 0.744 . . . . 97.689999999999998 110.561 -176.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -54.82 -46.84 74.62 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.168 -0.332 . . . . 140.56999999999999 111.447 -172.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.41 38.33 2.4 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.281 -0.485 . . . . 101.89 113.44 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -98.07 148.07 23.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.355 0.598 . . . . 104.27 110.899 -176.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -89.78 123.8 34.09 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.451 -0.795 . . . . 159.06 108.961 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 36.8 p -113.15 152.57 29.49 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.351 0.596 . . . . 110.73 110.3 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 165.82 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.592 -0.892 . . . . 110.53 108.592 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.08 133.03 45.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.776 -0.647 . . . . 101.98999999999999 109.621 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 17.0 t -48.85 -38.77 10.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.007 -0.542 . . . . 114.48 110.577 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.27 -6.64 30.65 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.305 0.854 . . . . 130.13 113.305 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -113.83 -3.02 13.51 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.599 0.963 . . . . 119.36 113.599 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.59 -7.61 12.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-N 118.676 0.671 . . . . 108.88 112.665 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.24 75.15 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.746 0.703 . . . . 87.079999999999998 111.411 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -61.41 -44.39 97.21 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.406 -0.518 . . . . 115.09999999999999 111.099 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -53.3 -51.2 63.09 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.899 0.38 . . . . 125.19 110.992 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -75.4 -34.13 61.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.089 -0.644 . . . . 112.02 111.464 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 803' ' ' HOH . 57.6 ttm-85 -57.19 -49.26 76.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.567 -0.453 . . . . 122.39 110.851 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -67.93 -33.49 74.79 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.29 -0.564 . . . . 134.41 111.424 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -62.99 -40.22 97.08 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.708 -0.397 . . . . 129.19999999999999 111.06 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.35 -33.43 58.96 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 122.098 -0.376 . . . . 101.09999999999999 111.997 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -58.34 -48.49 80.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.733 -0.387 . . . . 135.56999999999999 111.018 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.97 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 120.935 0.398 . . . . 102.42 110.383 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.01 94.7 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.22 -0.592 . . . . 110.04000000000001 111.279 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.31 -47.38 86.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.421 -0.512 . . . . 98.019999999999996 110.737 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.35 -46.04 91.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.748 0.308 . . . . 107.68000000000001 111.278 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -66.73 -30.29 70.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.909 -0.716 . . . . 151.25 111.606 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.66 -36.41 37.81 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.431 -0.508 . . . . 102.69 111.439 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -59.13 -42.24 90.15 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.218 -0.593 . . . . 98.269999999999996 110.812 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.27 -45.56 87.52 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.53 -0.468 . . . . 110.15000000000001 110.906 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.56 -35.2 79.71 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.991 -0.683 . . . . 160.83000000000001 110.997 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -70.11 -43.13 71.64 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.358 -0.537 . . . . 112.13 111.016 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.35 -0.54 . . . . 124.31999999999999 110.887 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -57.53 -44.31 85.02 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.506 -0.478 . . . . 122.73 110.976 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.43 95.4 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.56 -0.456 . . . . 125.73 111.651 -175.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -77.95 -37.5 47.37 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.919 -0.712 . . . . 147.52000000000001 111.919 -172.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.8 p -54.2 -38.0 65.15 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.776 -0.77 . . . . 131.72 110.467 172.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -68.62 -45.3 72.25 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.959 0.409 . . . . 141.90000000000001 110.616 173.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.9 t -61.14 -27.89 68.72 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 111.771 0.286 . . . . 168.22999999999999 111.771 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.8 -36.64 70.36 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.685 -0.406 . . . . 127.18000000000001 111.498 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -59.95 -45.04 93.91 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.248 -0.581 . . . . 142.78999999999999 110.675 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.11 -56.13 19.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 121.33 0.586 . . . . 120.19 110.191 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.95 -24.75 59.31 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.953 -0.467 . . . . 140.72999999999999 112.214 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -18.31 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.306 0.484 . . . . 156.78 112.306 176.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -76.63 -44.86 32.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.318 0.508 . . . . 144.49000000000001 111.398 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.637 0.256 . . . . 136.25 110.315 -176.392 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.746 0.308 . . . . 123.93000000000001 110.852 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.26 -20.74 60.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.655 -0.418 . . . . 144.66999999999999 111.693 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.5 -42.9 97.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.971 0.415 . . . . 132.81999999999999 110.476 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.38 -29.54 69.73 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.79 -0.569 . . . . 146.13999999999999 111.599 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 21.4 mtp85 -67.08 -45.54 76.97 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.501 -0.48 . . . . 157.56999999999999 110.872 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.19 69.28 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.064 -1.065 . . . . 119.14 112.459 173.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -70.09 -41.85 73.49 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.333 -0.51 . . . . 140.66 110.905 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.24 74.78 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.645 -0.422 . . . . 117.95999999999999 110.863 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.44 -39.83 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.689 -0.405 . . . . 111.72 111.179 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.81 94.86 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.072 -1.061 . . . . 117.31 112.572 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -77.09 -34.87 56.84 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.207 -0.584 . . . . 136.5 112.05 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.41 -42.13 75.46 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.53 -0.468 . . . . 137.36000000000001 111.48 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 58.5 p -88.49 10.02 21.67 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.114 0.783 . . . . 103.94 113.114 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -58.81 6.94 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.408 0.549 . . . . 134.38999999999999 111.126 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 26.8 p -54.22 -30.57 50.52 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.057 -0.402 . . . . 99.579999999999998 111.944 -174.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -42.66 82.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.351 -0.539 . . . . 103.56999999999999 110.469 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -62.69 -35.68 80.47 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.781 -0.574 . . . . 108.65000000000001 111.293 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' VAL . . . . . . . . . . . . . 27.1 t -74.23 -39.67 49.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.377 -0.529 . . . . 119.04000000000001 110.316 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.02 -46.04 82.97 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.449 -0.5 . . . . 119.40000000000001 110.919 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' ILE . . . . . . . . . . . . . 77.2 mt -55.3 -44.3 74.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.455 0.645 . . . . 105.31999999999999 109.907 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' SER . . . . . . . . . . . . . 34.9 t -59.99 -46.42 89.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.621 -0.432 . . . . 130.19999999999999 110.989 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.23 -48.58 81.14 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.608 -0.437 . . . . 103.06999999999999 111.166 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.6 -43.51 97.32 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.473 -0.491 . . . . 106.97 111.194 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.2 -33.17 67.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.262 -0.575 . . . . 123.66 111.336 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -73.9 -43.72 57.55 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.556 -0.457 . . . . 149.90000000000001 111.27 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -65.61 -40.11 92.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.48 -0.488 . . . . 109.91 111.373 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.93 -41.13 64.84 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.38 -0.528 . . . . 113.86 111.452 -176.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -71.86 -30.41 65.41 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.343 -0.543 . . . . 123.97 111.815 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -84.01 -144.5 6.21 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 114.781 0.672 . . . . 116.48999999999999 114.781 -169.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' SER . . . . . . . . . . . . . 52.4 p -94.71 -177.98 4.38 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.918 0.866 . . . . 128.13999999999999 110.111 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.23 -30.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.58 -0.736 . . . . 125.06999999999999 110.745 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.11 -56.79 13.82 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.835 -0.54 . . . . 126.22 110.674 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.82 -29.15 64.7 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.804 -0.358 . . . . 122.29000000000001 111.405 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 37.7 tp -68.66 -46.45 69.1 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 121.0 -0.28 . . . . 111.25 111.438 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 89.0 mt -102.73 -24.28 13.75 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 114.37 1.248 . . . . 97.989999999999995 114.37 -165.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.57 122.69 16.93 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 119.19 0.905 . . . . 122.41 110.111 -175.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . 57.76 20.05 38.35 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.868 -0.682 . . . . 114.06 114.176 -175.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.91 -42.99 73.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 117.892 0.846 . . . . 106.34999999999999 110.419 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.8 -27.32 64.93 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.851 -0.531 . . . . 126.98999999999999 111.549 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' GLY . . . . . . . . . . . . . . . -67.07 -41.88 92.5 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.952 -1.118 . . . . 118.18000000000001 112.13 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.89 -32.04 56.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 122.291 -0.535 . . . . 117.09 110.609 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.97 -51.32 74.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 121.807 -0.558 . . . . 127.65000000000001 110.164 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -64.42 -32.34 73.92 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.909 -0.494 . . . . 141.87 111.842 -176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -66.98 -39.07 87.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.121 -0.632 . . . . 124.37 110.95 174.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.06 -37.6 78.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.046 0.45 . . . . 120.67 110.321 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.21 -28.59 69.85 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.921 -0.487 . . . . 158.16999999999999 111.737 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -62.83 -47.69 82.32 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.7 -0.4 . . . . 136.44 111.108 -174.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.329 -0.303 0 O-C-N 121.947 -0.471 . . . . 142.28999999999999 109.748 178.239 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 803' ' ' HOH . . . . . 0.524 ' O ' ' NH2' ' A' ' 140' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 809' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 810' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 811' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 812' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 813' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 814' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 815' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 816' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 817' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 818' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 819' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 820' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 821' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 822' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 823' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 824' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 825' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.622 0.249 . . . . 105.17 111.229 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -134.48 145.31 48.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.622 -0.51 . . . . 118.85 109.622 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 37.6 t -76.77 112.45 13.36 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.942 -0.762 . . . . 79.95 108.942 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.3 68.25 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.64 -0.424 . . . . 77.13 111.772 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -79.07 -40.76 30.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.818 -0.353 . . . . 85.26 111.755 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -113.46 -11.46 13.09 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.65 0.982 . . . . 84.52 113.65 -174.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.3 23.47 74.9 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 118.743 0.701 . . . . 100.74 114.577 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -108.64 167.68 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.848 0.824 . . . . 94.76 109.849 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.73 132.12 43.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.436 -0.802 . . . . 108.18 110.797 -175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.76 97.98 8.87 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.952 -1.129 . . . . 92.89 107.952 174.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.26 3.4 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 116.526 -0.306 . . . . 80.27 111.235 -172.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt -116.36 133.94 55.45 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 109.462 -0.57 . . . . 80.03 109.462 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -111.13 118.14 35.18 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.691 -0.855 . . . . 94.63 108.691 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 28.8 t -86.98 126.99 35.09 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.724 -0.473 . . . . 93.47 109.724 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -76.28 -31.6 58.34 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.502 -0.479 . . . . 106.31 111.936 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -65.35 -40.31 93.45 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.492 -0.483 . . . . 100.27 111.494 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -102.81 -21.68 14.0 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 113.628 0.973 . . . . 105.46 113.628 -173.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.47 23.15 78.4 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.327 -0.94 . . . . 93.01 113.899 -173.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.88 153.27 22.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.748 0.774 . . . . 104.92 110.393 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.4 t -98.07 122.23 49.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.321 -1.362 . . . . 86.44 107.321 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.1 pt -132.52 172.06 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 121.759 0.79 . . . . 77.9 109.098 -169.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.3 p -101.61 174.94 5.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.977 -1.01 . . . . 78.12 109.485 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 32.1 p-90 -70.21 -28.6 65.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.856 -0.738 . . . . 76.72 111.751 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.89 -38.56 64.35 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.29 -0.564 . . . . 74.13 111.053 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -53.4 -41.67 66.19 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.365 -0.534 . . . . 70.92 110.691 170.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -61.22 -25.55 67.13 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.644 -0.422 . . . . 83.54 111.608 -177.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.06 -22.65 33.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.629 0.603 . . . . 98.54 112.629 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 p -65.68 163.75 15.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.909 0.862 . . . . 100.43 110.851 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.4 -23.42 65.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.229 -0.896 . . . . 112.83 111.71 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -57.75 -35.06 70.21 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.974 -0.29 . . . . 107.77 111.478 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -121.89 42.15 3.19 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.561 0.744 . . . . 89.22 110.561 -176.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -54.82 -46.84 74.62 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.168 -0.332 . . . . 117.15 111.447 -172.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.41 38.33 2.4 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.281 -0.485 . . . . 101.89 113.44 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -98.07 148.07 23.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.355 0.598 . . . . 86.89 110.899 -176.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -89.78 123.8 34.09 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.451 -0.795 . . . . 145.2 108.961 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 36.8 p -113.15 152.57 29.49 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.351 0.596 . . . . 92.27 110.3 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 165.82 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.592 -0.892 . . . . 92.11 108.592 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.08 133.03 45.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.776 -0.647 . . . . 87.01 109.621 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 17.0 t -48.85 -38.77 10.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.007 -0.542 . . . . 95.4 110.577 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.27 -6.64 30.65 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.305 0.854 . . . . 115.45 113.305 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -113.83 -3.02 13.51 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.599 0.963 . . . . 99.47 113.599 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.59 -7.61 12.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-N 118.676 0.671 . . . . 90.73 112.665 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.24 75.15 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.746 0.703 . . . . 84.94 111.411 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -61.41 -44.39 97.21 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.406 -0.518 . . . . 115.1 111.099 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -53.3 -51.2 63.09 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.899 0.38 . . . . 104.32 110.992 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -75.4 -34.13 61.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.089 -0.644 . . . . 93.35 111.464 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 803' ' ' HOH . 57.6 ttm-85 -57.19 -49.26 76.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.567 -0.453 . . . . 109.44 110.851 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -67.93 -33.49 74.79 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.29 -0.564 . . . . 134.41 111.424 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -62.99 -40.22 97.08 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.708 -0.397 . . . . 107.67 111.06 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.35 -33.43 58.96 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 122.098 -0.376 . . . . 84.25 111.997 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -58.34 -48.49 80.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.733 -0.387 . . . . 112.97 111.018 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.97 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 120.935 0.398 . . . . 85.35 110.383 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.01 94.7 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.22 -0.592 . . . . 91.7 111.279 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.31 -47.38 86.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.421 -0.512 . . . . 81.68 110.737 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.35 -46.04 91.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.748 0.308 . . . . 107.68 111.278 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -66.73 -30.29 70.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.909 -0.716 . . . . 126.04 111.606 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.66 -36.41 37.81 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.431 -0.508 . . . . 96.57 111.439 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -59.13 -42.24 90.15 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.218 -0.593 . . . . 83.94 110.812 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.27 -45.56 87.52 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.53 -0.468 . . . . 95.13 110.906 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.56 -35.2 79.71 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.991 -0.683 . . . . 134.02 110.997 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -70.11 -43.13 71.64 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.358 -0.537 . . . . 96.34 111.016 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.35 -0.54 . . . . 105.6 110.887 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -57.53 -44.31 85.02 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.506 -0.478 . . . . 122.73 110.976 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.43 95.4 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.56 -0.456 . . . . 113.01 111.651 -175.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -77.95 -37.5 47.37 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.919 -0.712 . . . . 140.03 111.919 -172.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.8 p -54.2 -38.0 65.15 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.776 -0.77 . . . . 109.77 110.467 172.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -68.62 -45.3 72.25 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.959 0.409 . . . . 137.82 110.616 173.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.9 t -61.14 -27.89 68.72 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 111.771 0.286 . . . . 140.19 111.771 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.8 -36.64 70.36 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.685 -0.406 . . . . 108.44 111.498 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -59.95 -45.04 93.91 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.248 -0.581 . . . . 118.99 110.675 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.11 -56.13 19.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 121.33 0.586 . . . . 112.62 110.191 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.95 -24.75 59.31 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.953 -0.467 . . . . 127.55 112.214 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -18.31 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.306 0.484 . . . . 130.65 112.306 176.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -76.63 -44.86 32.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.318 0.508 . . . . 120.41 111.398 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.637 0.256 . . . . 113.54 110.315 -176.392 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.746 0.308 . . . . 116.8 110.852 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.26 -20.74 60.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.655 -0.418 . . . . 120.56 111.693 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.5 -42.9 97.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.971 0.415 . . . . 111.23 110.476 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.38 -29.54 69.73 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.79 -0.569 . . . . 121.78 111.599 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 21.4 mtp85 -67.08 -45.54 76.97 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.501 -0.48 . . . . 131.31 110.872 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.19 69.28 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.064 -1.065 . . . . 99.29 112.459 173.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -70.09 -41.85 73.49 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.333 -0.51 . . . . 117.22 110.905 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.24 74.78 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.645 -0.422 . . . . 98.3 110.863 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.44 -39.83 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.689 -0.405 . . . . 93.1 111.179 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.81 94.86 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.072 -1.061 . . . . 97.76 112.572 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -77.09 -34.87 56.84 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.207 -0.584 . . . . 126.07 112.05 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.41 -42.13 75.46 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.53 -0.468 . . . . 114.47 111.48 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 58.5 p -88.49 10.02 21.67 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.114 0.783 . . . . 86.62 113.114 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -58.81 6.94 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.408 0.549 . . . . 117.28 111.126 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 26.8 p -54.22 -30.57 50.52 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.057 -0.402 . . . . 86.08 111.944 -174.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -42.66 82.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.351 -0.539 . . . . 86.31 110.469 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -62.69 -35.68 80.47 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.781 -0.574 . . . . 90.55 111.293 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' VAL . . . . . . . . . . . . . 27.1 t -74.23 -39.67 49.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.377 -0.529 . . . . 99.2 110.316 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.02 -46.04 82.97 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.449 -0.5 . . . . 99.5 110.919 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' ILE . . . . . . . . . . . . . 77.2 mt -55.3 -44.3 74.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.455 0.645 . . . . 87.77 109.907 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' SER . . . . . . . . . . . . . 34.9 t -59.99 -46.42 89.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.621 -0.432 . . . . 108.5 110.989 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.23 -48.58 81.14 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.608 -0.437 . . . . 97.04 111.166 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.6 -43.51 97.32 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.473 -0.491 . . . . 89.14 111.194 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.2 -33.17 67.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.262 -0.575 . . . . 103.05 111.336 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -73.9 -43.72 57.55 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.556 -0.457 . . . . 135.24 111.27 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -65.61 -40.11 92.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.48 -0.488 . . . . 97.27 111.373 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.93 -41.13 64.84 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.38 -0.528 . . . . 102.52 111.452 -176.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -71.86 -30.41 65.41 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.343 -0.543 . . . . 115.16 111.815 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -84.01 -144.5 6.21 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 114.781 0.672 . . . . 106.59 114.781 -169.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' SER . . . . . . . . . . . . . 52.4 p -94.71 -177.98 4.38 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.918 0.866 . . . . 106.78 110.111 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.23 -30.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.58 -0.736 . . . . 104.23 110.745 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.11 -56.79 13.82 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.835 -0.54 . . . . 116.78 110.674 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.82 -29.15 64.7 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.804 -0.358 . . . . 114.86 111.405 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 37.7 tp -68.66 -46.45 69.1 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 121.0 -0.28 . . . . 92.71 111.438 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 89.0 mt -102.73 -24.28 13.75 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 114.37 1.248 . . . . 81.66 114.37 -165.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.57 122.69 16.93 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 119.19 0.905 . . . . 102.01 110.111 -175.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . 57.76 20.05 38.35 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.868 -0.682 . . . . 99.36 114.176 -175.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.91 -42.99 73.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 117.892 0.846 . . . . 89.94 110.419 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.8 -27.32 64.93 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.851 -0.531 . . . . 107.54 111.549 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' GLY . . . . . . . . . . . . . . . -67.07 -41.88 92.5 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.952 -1.118 . . . . 104.0 112.13 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.89 -32.04 56.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 122.291 -0.535 . . . . 97.57 110.609 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.97 -51.32 74.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 121.807 -0.558 . . . . 106.46 110.164 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -64.42 -32.34 73.92 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.909 -0.494 . . . . 118.23 111.842 -176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -66.98 -39.07 87.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.121 -0.632 . . . . 105.92 110.95 174.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.06 -37.6 78.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.046 0.45 . . . . 103.43 110.321 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 223' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.21 -28.59 69.85 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.921 -0.487 . . . . 132.47 111.737 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -62.83 -47.69 82.32 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.7 -0.4 . . . . 118.74 111.108 -174.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 225' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.329 -0.303 0 O-C-N 121.947 -0.471 . . . . 118.57 109.748 178.239 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 803' ' ' HOH . . . . . 0.524 ' O ' ' NH2' ' A' ' 140' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 809' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 810' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 811' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 812' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 813' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 814' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 815' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 816' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 817' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 818' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 819' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 820' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 821' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 822' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 823' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 824' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 825' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.622 0.249 . . . . 105.17 111.229 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -134.48 145.31 48.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.622 -0.51 . . . . 118.85 109.622 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 37.6 t -76.77 112.45 13.36 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.942 -0.762 . . . . 79.95 108.942 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.3 68.25 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.64 -0.424 . . . . 77.13 111.772 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -79.07 -40.76 30.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.818 -0.353 . . . . 85.26 111.755 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -113.46 -11.46 13.09 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.65 0.982 . . . . 84.52 113.65 -174.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.3 23.47 74.9 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 118.743 0.701 . . . . 100.74 114.577 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -108.64 167.68 9.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.848 0.824 . . . . 94.76 109.849 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.73 132.12 43.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.436 -0.802 . . . . 108.18 110.797 -175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.76 97.98 8.87 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.952 -1.129 . . . . 92.89 107.952 174.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.26 3.4 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 116.526 -0.306 . . . . 80.27 111.235 -172.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt -116.36 133.94 55.45 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 109.462 -0.57 . . . . 80.03 109.462 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -111.13 118.14 35.18 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.691 -0.855 . . . . 94.63 108.691 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 28.8 t -86.98 126.99 35.09 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.724 -0.473 . . . . 93.47 109.724 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -76.28 -31.6 58.34 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.502 -0.479 . . . . 106.31 111.936 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -65.35 -40.31 93.45 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.492 -0.483 . . . . 100.27 111.494 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -102.81 -21.68 14.0 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 113.628 0.973 . . . . 105.46 113.628 -173.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.47 23.15 78.4 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.327 -0.94 . . . . 93.01 113.899 -173.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.88 153.27 22.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.748 0.774 . . . . 104.92 110.393 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.4 t -98.07 122.23 49.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.321 -1.362 . . . . 86.44 107.321 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.1 pt -132.52 172.06 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 121.759 0.79 . . . . 77.9 109.098 -169.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.3 p -101.61 174.94 5.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.977 -1.01 . . . . 78.12 109.485 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 32.1 p-90 -70.21 -28.6 65.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.856 -0.738 . . . . 76.72 111.751 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.89 -38.56 64.35 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.29 -0.564 . . . . 74.13 111.053 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.6 m -53.4 -41.67 66.19 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.365 -0.534 . . . . 70.92 110.691 170.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -61.22 -25.55 67.13 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.644 -0.422 . . . . 83.54 111.608 -177.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -83.06 -22.65 33.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.629 0.603 . . . . 98.54 112.629 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 p -65.68 163.75 15.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.909 0.862 . . . . 100.43 110.851 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.4 -23.42 65.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.229 -0.896 . . . . 112.83 111.71 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -57.75 -35.06 70.21 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.974 -0.29 . . . . 107.77 111.478 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -121.89 42.15 3.19 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.561 0.744 . . . . 89.22 110.561 -176.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -54.82 -46.84 74.62 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.168 -0.332 . . . . 117.15 111.447 -172.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.41 38.33 2.4 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.281 -0.485 . . . . 101.89 113.44 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -98.07 148.07 23.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.355 0.598 . . . . 86.89 110.899 -176.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -89.78 123.8 34.09 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.451 -0.795 . . . . 145.2 108.961 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 36.8 p -113.15 152.57 29.49 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.351 0.596 . . . . 92.27 110.3 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 165.82 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.592 -0.892 . . . . 92.11 108.592 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.08 133.03 45.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.776 -0.647 . . . . 87.01 109.621 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 17.0 t -48.85 -38.77 10.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.007 -0.542 . . . . 95.4 110.577 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.27 -6.64 30.65 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.305 0.854 . . . . 115.45 113.305 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -113.83 -3.02 13.51 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.599 0.963 . . . . 99.47 113.599 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.59 -7.61 12.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-N 118.676 0.671 . . . . 90.73 112.665 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.44 -49.24 75.15 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.746 0.703 . . . . 84.94 111.411 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -61.41 -44.39 97.21 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.406 -0.518 . . . . 115.1 111.099 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -53.3 -51.2 63.09 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.899 0.38 . . . . 104.32 110.992 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -75.4 -34.13 61.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.089 -0.644 . . . . 93.35 111.464 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 803' ' ' HOH . 57.6 ttm-85 -57.19 -49.26 76.54 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.567 -0.453 . . . . 109.44 110.851 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -67.93 -33.49 74.79 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.29 -0.564 . . . . 134.41 111.424 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -62.99 -40.22 97.08 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.708 -0.397 . . . . 107.67 111.06 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.35 -33.43 58.96 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 122.098 -0.376 . . . . 84.25 111.997 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -58.34 -48.49 80.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.733 -0.387 . . . . 112.97 111.018 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.2 t -64.97 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 120.935 0.398 . . . . 85.35 110.383 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.01 94.7 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.22 -0.592 . . . . 91.7 111.279 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.31 -47.38 86.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.421 -0.512 . . . . 81.68 110.737 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.35 -46.04 91.35 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.748 0.308 . . . . 107.68 111.278 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -66.73 -30.29 70.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.909 -0.716 . . . . 126.04 111.606 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.66 -36.41 37.81 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.431 -0.508 . . . . 96.57 111.439 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -59.13 -42.24 90.15 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.218 -0.593 . . . . 83.94 110.812 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.27 -45.56 87.52 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.53 -0.468 . . . . 95.13 110.906 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.56 -35.2 79.71 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.991 -0.683 . . . . 134.02 110.997 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -70.11 -43.13 71.64 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.358 -0.537 . . . . 96.34 111.016 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.35 -0.54 . . . . 105.6 110.887 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -57.53 -44.31 85.02 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.506 -0.478 . . . . 122.73 110.976 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.43 95.4 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.56 -0.456 . . . . 113.01 111.651 -175.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -77.95 -37.5 47.37 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.919 -0.712 . . . . 140.03 111.919 -172.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.8 p -54.2 -38.0 65.15 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.776 -0.77 . . . . 109.77 110.467 172.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -68.62 -45.3 72.25 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.959 0.409 . . . . 137.82 110.616 173.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.9 t -61.14 -27.89 68.72 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 111.771 0.286 . . . . 140.19 111.771 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.8 -36.64 70.36 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.685 -0.406 . . . . 108.44 111.498 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -59.95 -45.04 93.91 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.248 -0.581 . . . . 118.99 110.675 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.11 -56.13 19.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 121.33 0.586 . . . . 112.62 110.191 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.95 -24.75 59.31 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.953 -0.467 . . . . 127.55 112.214 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -18.31 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.306 0.484 . . . . 130.65 112.306 176.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -76.63 -44.86 32.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.318 0.508 . . . . 120.41 111.398 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.637 0.256 . . . . 113.54 110.315 -176.392 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.746 0.308 . . . . 116.8 110.852 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.26 -20.74 60.27 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.655 -0.418 . . . . 120.56 111.693 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.5 -42.9 97.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.971 0.415 . . . . 111.23 110.476 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.38 -29.54 69.73 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.79 -0.569 . . . . 121.78 111.599 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 21.4 mtp85 -67.08 -45.54 76.97 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.501 -0.48 . . . . 131.31 110.872 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -59.91 -30.19 69.28 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.064 -1.065 . . . . 99.29 112.459 173.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -70.09 -41.85 73.49 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.333 -0.51 . . . . 117.22 110.905 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.24 74.78 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.645 -0.422 . . . . 98.3 110.863 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' CYS . . . . . . . . . . . . . 2.0 t -53.44 -39.83 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.689 -0.405 . . . . 93.1 111.179 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.81 94.86 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.072 -1.061 . . . . 97.76 112.572 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -77.09 -34.87 56.84 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.207 -0.584 . . . . 126.07 112.05 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.41 -42.13 75.46 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.53 -0.468 . . . . 114.47 111.48 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 58.5 p -88.49 10.02 21.67 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.114 0.783 . . . . 86.62 113.114 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -58.81 6.94 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.408 0.549 . . . . 117.28 111.126 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 26.8 p -54.22 -30.57 50.52 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.057 -0.402 . . . . 86.08 111.944 -174.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 75.7 t -68.83 -42.66 82.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.351 -0.539 . . . . 86.31 110.469 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -62.69 -35.68 80.47 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.781 -0.574 . . . . 90.55 111.293 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' VAL . . . . . . . . . . . . . 27.1 t -74.23 -39.67 49.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.377 -0.529 . . . . 99.2 110.316 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.02 -46.04 82.97 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.449 -0.5 . . . . 99.5 110.919 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' ILE . . . . . . . . . . . . . 77.2 mt -55.3 -44.3 74.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.455 0.645 . . . . 87.77 109.907 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' SER . . . . . . . . . . . . . 34.9 t -59.99 -46.42 89.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.621 -0.432 . . . . 108.5 110.989 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.23 -48.58 81.14 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.608 -0.437 . . . . 97.04 111.166 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.6 -43.51 97.32 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.473 -0.491 . . . . 89.14 111.194 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.2 -33.17 67.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.262 -0.575 . . . . 103.05 111.336 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -73.9 -43.72 57.55 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.556 -0.457 . . . . 135.24 111.27 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -65.61 -40.11 92.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.48 -0.488 . . . . 97.27 111.373 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.93 -41.13 64.84 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.38 -0.528 . . . . 102.52 111.452 -176.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -71.86 -30.41 65.41 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.343 -0.543 . . . . 115.16 111.815 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -84.01 -144.5 6.21 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 114.781 0.672 . . . . 106.59 114.781 -169.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' SER . . . . . . . . . . . . . 52.4 p -94.71 -177.98 4.38 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.918 0.866 . . . . 106.78 110.111 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.23 -30.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.58 -0.736 . . . . 104.23 110.745 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' MET . . . . . . . . . . . . . 23.2 mmt -63.11 -56.79 13.82 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.835 -0.54 . . . . 116.78 110.674 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.82 -29.15 64.7 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.804 -0.358 . . . . 114.86 111.405 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 37.7 tp -68.66 -46.45 69.1 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 121.0 -0.28 . . . . 92.71 111.438 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 89.0 mt -102.73 -24.28 13.75 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 114.37 1.248 . . . . 81.66 114.37 -165.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.57 122.69 16.93 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 119.19 0.905 . . . . 102.01 110.111 -175.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . 57.76 20.05 38.35 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.868 -0.682 . . . . 99.36 114.176 -175.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.91 -42.99 73.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 117.892 0.846 . . . . 89.94 110.419 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.8 -27.32 64.93 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.851 -0.531 . . . . 107.54 111.549 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' GLY . . . . . . . . . . . . . . . -67.07 -41.88 92.5 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.952 -1.118 . . . . 104.0 112.13 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.89 -32.04 56.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 122.291 -0.535 . . . . 97.57 110.609 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.97 -51.32 74.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 121.807 -0.558 . . . . 106.46 110.164 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -64.42 -32.34 73.92 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.909 -0.494 . . . . 118.23 111.842 -176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -66.98 -39.07 87.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.121 -0.632 . . . . 105.92 110.95 174.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.06 -37.6 78.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.046 0.45 . . . . 103.43 110.321 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.21 -28.59 69.85 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.921 -0.487 . . . . 132.47 111.737 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -62.83 -47.69 82.32 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.7 -0.4 . . . . 118.74 111.108 -174.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.329 -0.303 0 O-C-N 121.947 -0.471 . . . . 118.57 109.748 178.239 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 803' ' ' HOH . . . . . 0.524 ' O ' ' NH2' ' A' ' 140' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 809' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 810' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 811' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 812' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 813' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 814' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 815' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 816' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 817' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 818' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 819' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 820' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 821' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 822' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 823' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 824' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 825' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_