data_1yri_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 1yri _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' H3 ' ' A' ' 502' ' ' ACT . 95.6 mt . . . . . 0 N--CA 1.432 -1.326 0 CA-C-O 118.616 -0.706 . . . . 35.380000000000003 110.313 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -65.06 163.88 13.97 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 123.592 1.663 . . . . 30.829999999999998 112.297 162.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' HB3' ' I ' ' A' ' 479' ' ' IOD . 85.4 m-20 -62.45 -42.04 99.18 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 118.641 -2.537 . . . . 24.620000000000001 110.603 -177.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' 1027 ' ' HOH . 7.8 tp10 -64.41 -42.72 95.92 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 124.654 1.221 . . . . 36.159999999999997 111.379 179.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -63.46 -39.23 93.92 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.788 -0.819 . . . . 25.68 108.788 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.48 -49.08 77.44 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 124.458 2.075 . . . . 20.379999999999999 112.217 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -61.18 -40.04 92.41 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.449 -1.407 . . . . 64.689999999999998 111.511 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.0 85.59 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 119.421 -0.912 . . . . 28.030000000000001 113.304 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.42 -43.58 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.28 -0.568 . . . . 25.09 111.639 -174.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE1' ' HD2' ' A' ' 73' ' ' LYS . 75.0 m-85 -97.64 -9.73 26.33 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 117.286 -1.34 . . . . 20.359999999999999 114.31 -174.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.74 24.32 77.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-O 117.751 -1.583 . . . . 21.879999999999999 113.618 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptp -162.96 166.59 23.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 118.938 1.369 . . . . 34.630000000000003 110.092 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.5 p -73.53 163.34 28.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.988 0.736 . . . . 24.25 112.988 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG3' ' I ' ' A' ' 479' ' ' IOD . 95.8 mtt-85 -58.46 -37.24 75.06 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.984 -0.686 . . . . 25.739999999999998 112.769 174.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.0 t -65.38 -41.58 93.59 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 122.583 1.182 . . . . 43.259999999999998 111.099 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.41 80.24 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 123.768 1.746 . . . . 22.600000000000001 110.75 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.06 -34.71 70.42 Favored 'General case' 0 C--O 1.202 -1.411 0 CA-C-O 123.827 1.775 . . . . 21.199999999999999 113.538 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.77 62.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.481 -1.236 . . . . 26.210000000000001 111.315 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -85.37 -9.65 57.31 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.827 -1.795 . . . . 30.719999999999999 114.584 174.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.28 157.35 89.38 Favored Pre-proline 0 C--N 1.313 -1.014 0 O-C-N 125.621 1.826 . . . . 28.370000000000001 109.934 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.38 142.99 56.17 Favored 'Trans proline' 0 C--N 1.318 -1.045 0 N-CA-C 110.336 -0.678 . . . . 26.0 110.336 174.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.82 -41.07 81.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 118.365 -1.334 . . . . 27.239999999999998 112.052 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' 1026 ' ' HOH . 62.8 p-90 -59.14 -34.72 72.4 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 118.024 -2.923 . . . . 15.41 105.101 -167.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' 1035 ' ' HOH . 73.4 tttt -66.69 -42.06 87.08 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 114.195 -1.366 . . . . 22.629999999999999 110.079 -176.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -62.42 -53.67 51.47 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 123.557 1.646 . . . . 11.56 108.59 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -50.73 72.55 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 110.452 -3.067 . . . . 21.68 112.051 169.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.4 t-80 -50.22 -45.15 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 122.192 2.269 . . . . 17.719999999999999 112.936 178.897 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' 1032 ' ' HOH . 65.7 mt -66.25 -37.96 86.72 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 117.484 -1.686 . . . . 30.170000000000002 109.507 -176.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . 0.832 ' NZ ' ' O ' ' A' 1008 ' ' HOH . 62.8 mttt -58.92 -35.0 72.34 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 116.444 -1.741 . . . . 40.850000000000001 113.29 176.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -77.18 -37.5 53.54 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 125.819 3.918 . . . . 43.799999999999997 109.337 -176.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -63.32 -28.11 69.78 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 123.344 0.403 . . . . 25.949999999999999 111.347 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . 0.708 ' HE2' ' O ' ' A' 1006 ' ' HOH . 16.6 mttp -88.07 3.16 50.01 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.303 -0.856 . . . . 38.960000000000001 112.974 174.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.76 16.76 78.6 Favored Glycine 0 C--O 1.25 1.13 0 CA-C-O 114.097 -3.613 . . . . 27.32 116.818 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . 0.447 HD23 ' H1 ' ' A' ' 502' ' ' ACT . 35.9 mt -114.77 167.16 11.01 Favored 'General case' 0 C--O 1.258 1.544 1 C-N-CA 137.029 6.132 . . . . 40.060000000000002 114.193 -174.405 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . 0.651 ' OXT' ' O ' ' A' 1024 ' ' HOH . 57.8 m-85 . . . . . 0 C--O 1.26 1.635 0 C-N-CA 131.039 3.735 . . . . 45.0 109.796 -161.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ACT . . . . . 0.508 ' H3 ' ' N ' ' A' ' 42' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 479' ' ' IOD . . . . . 0.473 ' I ' ' HB3' ' A' ' 44' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 480' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 485' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . 0.708 ' O ' ' HE2' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . 0.832 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1011 ' ' HOH . . . . . 0.43 ' O ' ' HE1' ' A' ' 76' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1024 ' ' HOH . . . . . 0.651 ' O ' ' OXT' ' A' ' 76' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1025 ' ' HOH . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1026 ' ' HOH . . . . . 0.667 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1027 ' ' HOH . . . . . 0.491 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1032 ' ' HOH . . . . . 0.401 ' O ' HD23 ' A' ' 69' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1035 ' ' HOH . . . . . 0.441 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' N ' ' H1 ' ' A' ' 502' ' ' ACT . 95.6 mt . . . . . 0 N--CA 1.432 -1.326 0 CA-C-O 118.616 -0.706 . . . . 23.58 110.313 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -65.06 163.88 13.97 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 123.592 1.663 . . . . 20.55 112.297 162.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . 0.472 ' HB3' ' I ' ' A' ' 479' ' ' IOD . 85.4 m-20 -62.45 -42.04 99.18 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 118.641 -2.537 . . . . 24.62 110.603 -177.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' 1027 ' ' HOH . 7.8 tp10 -64.41 -42.72 95.92 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 124.654 1.221 . . . . 36.16 111.379 179.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -63.46 -39.23 93.92 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.788 -0.819 . . . . 25.68 108.788 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.48 -49.08 77.44 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 124.458 2.075 . . . . 16.99 112.217 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -61.18 -40.04 92.41 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.449 -1.407 . . . . 43.13 111.511 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.0 85.59 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 119.421 -0.912 . . . . 18.69 113.304 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.42 -43.58 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.28 -0.568 . . . . 16.72 111.639 -174.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 73' ' ' LYS . 75.0 m-85 -97.64 -9.73 26.33 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 117.286 -1.34 . . . . 17.71 114.31 -174.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.74 24.32 77.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-O 117.751 -1.583 . . . . 18.24 113.618 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptp -162.96 166.59 23.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 118.938 1.369 . . . . 23.09 110.092 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.5 p -73.53 163.34 28.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.988 0.736 . . . . 16.17 112.988 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -58.46 -37.24 75.06 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.984 -0.686 . . . . 21.45 112.769 174.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.0 t -65.38 -41.58 93.59 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 122.583 1.182 . . . . 28.84 111.099 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.41 80.24 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 123.768 1.746 . . . . 15.07 110.75 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.06 -34.71 70.42 Favored 'General case' 0 C--O 1.202 -1.411 0 CA-C-O 123.827 1.775 . . . . 17.67 113.538 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.77 62.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.481 -1.236 . . . . 17.47 111.315 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -85.37 -9.65 57.31 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.827 -1.795 . . . . 25.6 114.584 174.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.28 157.35 89.38 Favored Pre-proline 0 C--N 1.313 -1.014 0 O-C-N 125.621 1.826 . . . . 18.91 109.934 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.38 142.99 56.17 Favored 'Trans proline' 0 C--N 1.318 -1.045 0 N-CA-C 110.336 -0.678 . . . . 21.67 110.336 174.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.82 -41.07 81.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 118.365 -1.334 . . . . 18.16 112.052 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' 1026 ' ' HOH . 62.8 p-90 -59.14 -34.72 72.4 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 118.024 -2.923 . . . . 16.21 105.101 -167.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' 1035 ' ' HOH . 73.4 tttt -66.69 -42.06 87.08 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 114.195 -1.366 . . . . 16.67 110.079 -176.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -62.42 -53.67 51.47 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 123.557 1.646 . . . . 12.12 108.59 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -50.73 72.55 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 110.452 -3.067 . . . . 18.07 112.051 169.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.4 t-80 -50.22 -45.15 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 122.192 2.269 . . . . 16.34 112.936 178.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . 0.606 HD21 ' O ' ' A' 1032 ' ' HOH . 65.7 mt -66.25 -37.96 86.72 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 117.484 -1.686 . . . . 21.97 109.507 -176.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -58.92 -35.0 72.34 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 116.444 -1.741 . . . . 27.23 113.29 176.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -77.18 -37.5 53.54 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 125.819 3.918 . . . . 36.5 109.337 -176.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -63.32 -28.11 69.78 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 123.344 0.403 . . . . 27.99 111.347 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.708 ' HE2' ' O ' ' A' 1006 ' ' HOH . 16.6 mttp -88.07 3.16 50.01 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.303 -0.856 . . . . 29.16 112.974 174.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.76 16.76 78.6 Favored Glycine 0 C--O 1.25 1.13 0 CA-C-O 114.097 -3.613 . . . . 27.32 116.818 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.491 HD22 ' H2 ' ' A' ' 502' ' ' ACT . 35.9 mt -114.77 167.16 11.01 Favored 'General case' 0 C--O 1.258 1.544 1 C-N-CA 137.029 6.132 . . . . 26.71 114.193 -174.405 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . 0.651 ' OXT' ' O ' ' A' 1024 ' ' HOH . 57.8 m-85 . . . . . 0 C--O 1.26 1.635 0 C-N-CA 131.039 3.735 . . . . 37.6 109.796 -161.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ACT . . . . . 0.507 ' H1 ' ' N ' ' A' ' 42' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 479' ' ' IOD . . . . . 0.472 ' I ' ' HB3' ' A' ' 44' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 480' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 485' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . 0.708 ' O ' ' HE2' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1011 ' ' HOH . . . . . 0.429 ' O ' ' HE1' ' A' ' 76' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1024 ' ' HOH . . . . . 0.651 ' O ' ' OXT' ' A' ' 76' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1025 ' ' HOH . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1026 ' ' HOH . . . . . 0.667 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1027 ' ' HOH . . . . . 0.489 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1032 ' ' HOH . . . . . 0.606 ' O ' HD21 ' A' ' 69' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1035 ' ' HOH . . . . . 0.441 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' N ' ' H1 ' ' A' ' 502' ' ' ACT . 95.6 mt . . . . . 0 N--CA 1.432 -1.326 0 CA-C-O 118.616 -0.706 . . . . 23.579999999999998 110.313 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -65.06 163.88 13.97 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 123.592 1.663 . . . . 20.550000000000001 112.297 162.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.472 ' HB3' ' I ' ' A' ' 479' ' ' IOD . 85.4 m-20 -62.45 -42.04 99.18 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 118.641 -2.537 . . . . 24.620000000000001 110.603 -177.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' 1027 ' ' HOH . 7.8 tp10 -64.41 -42.72 95.92 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 124.654 1.221 . . . . 36.159999999999997 111.379 179.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -63.46 -39.23 93.92 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.788 -0.819 . . . . 25.68 108.788 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.48 -49.08 77.44 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 124.458 2.075 . . . . 16.989999999999998 112.217 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -61.18 -40.04 92.41 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.449 -1.407 . . . . 43.130000000000003 111.511 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.0 85.59 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 119.421 -0.912 . . . . 18.690000000000001 113.304 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.42 -43.58 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.28 -0.568 . . . . 16.719999999999999 111.639 -174.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 73' ' ' LYS . 75.0 m-85 -97.64 -9.73 26.33 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 117.286 -1.34 . . . . 17.710000000000001 114.31 -174.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.74 24.32 77.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-O 117.751 -1.583 . . . . 18.239999999999998 113.618 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptp -162.96 166.59 23.64 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 118.938 1.369 . . . . 23.09 110.092 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.5 p -73.53 163.34 28.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.988 0.736 . . . . 16.170000000000002 112.988 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -58.46 -37.24 75.06 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.984 -0.686 . . . . 21.449999999999999 112.769 174.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.0 t -65.38 -41.58 93.59 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 122.583 1.182 . . . . 28.84 111.099 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.41 80.24 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 123.768 1.746 . . . . 15.07 110.75 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.06 -34.71 70.42 Favored 'General case' 0 C--O 1.202 -1.411 0 CA-C-O 123.827 1.775 . . . . 17.670000000000002 113.538 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.77 62.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.481 -1.236 . . . . 17.469999999999999 111.315 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -85.37 -9.65 57.31 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.827 -1.795 . . . . 25.600000000000001 114.584 174.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.28 157.35 89.38 Favored Pre-proline 0 C--N 1.313 -1.014 0 O-C-N 125.621 1.826 . . . . 18.91 109.934 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.38 142.99 56.17 Favored 'Trans proline' 0 C--N 1.318 -1.045 0 N-CA-C 110.336 -0.678 . . . . 21.670000000000002 110.336 174.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.82 -41.07 81.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 118.365 -1.334 . . . . 18.16 112.052 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.667 ' CD1' ' O ' ' A' 1026 ' ' HOH . 62.8 p-90 -59.14 -34.72 72.4 Favored 'General case' 0 N--CA 1.436 -1.154 0 O-C-N 118.024 -2.923 . . . . 16.210000000000001 105.101 -167.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' 1035 ' ' HOH . 73.4 tttt -66.69 -42.06 87.08 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 114.195 -1.366 . . . . 16.670000000000002 110.079 -176.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -62.42 -53.67 51.47 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 123.557 1.646 . . . . 12.119999999999999 108.59 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -50.73 72.55 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 110.452 -3.067 . . . . 18.07 112.051 169.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.4 t-80 -50.22 -45.15 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 122.192 2.269 . . . . 16.34 112.936 178.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.606 HD21 ' O ' ' A' 1032 ' ' HOH . 65.7 mt -66.25 -37.96 86.72 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 117.484 -1.686 . . . . 21.969999999999999 109.507 -176.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -58.92 -35.0 72.34 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 116.444 -1.741 . . . . 27.23 113.29 176.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -77.18 -37.5 53.54 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 125.819 3.918 . . . . 36.5 109.337 -176.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -63.32 -28.11 69.78 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 123.344 0.403 . . . . 27.989999999999998 111.347 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.708 ' HE2' ' O ' ' A' 1006 ' ' HOH . 16.6 mttp -88.07 3.16 50.01 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.303 -0.856 . . . . 29.16 112.974 174.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.76 16.76 78.6 Favored Glycine 0 C--O 1.25 1.13 0 CA-C-O 114.097 -3.613 . . . . 27.32 116.818 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.491 HD22 ' H2 ' ' A' ' 502' ' ' ACT . 35.9 mt -114.77 167.16 11.01 Favored 'General case' 0 C--O 1.258 1.544 1 C-N-CA 137.029 6.132 . . . . 26.710000000000001 114.193 -174.405 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.651 ' OXT' ' O ' ' A' 1024 ' ' HOH . 57.8 m-85 . . . . . 0 C--O 1.26 1.635 0 C-N-CA 131.039 3.735 . . . . 37.600000000000001 109.796 -161.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ACT . . . . . 0.507 ' H1 ' ' N ' ' A' ' 42' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 479' ' ' IOD . . . . . 0.472 ' I ' ' HB3' ' A' ' 44' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 485' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . 0.708 ' O ' ' HE2' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' HOH . . . . . 0.429 ' O ' ' HE1' ' A' ' 76' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' HOH . . . . . 0.651 ' O ' ' OXT' ' A' ' 76' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1025 ' ' HOH . . . . . 0.503 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' HOH . . . . . 0.667 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' HOH . . . . . 0.489 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1032 ' ' HOH . . . . . 0.606 ' O ' HD21 ' A' ' 69' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1035 ' ' HOH . . . . . 0.441 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_