data_3efg_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 3efg _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 ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.101 0 N-CA-C 112.735 0.643 . . . . 64.34 112.735 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.06 26.98 0.33 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.916 2.087 . . . . 68.15 113.365 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.25 -3.73 8.67 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 64.2 112.172 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -51.62 -42.44 62.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 114.816 -1.084 . . . . 59.95 111.488 167.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.33 -38.99 92.98 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 113.272 0.841 . . . . 44.65 113.272 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.71 -36.78 70.64 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 111.913 0.338 . . . . 40.54 111.913 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.48 92.38 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 107.592 -1.262 . . . . 34.69 107.592 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -60.96 -43.15 99.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.512 -0.742 . . . . 46.81 112.194 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -55.61 -43.82 76.46 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.034 -1.066 . . . . 34.64 110.793 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.67 -41.87 93.92 Favored 'Isoleucine or valine' 0 C--O 1.245 0.854 0 CA-C-N 115.544 -0.753 . . . . 31.21 109.676 -177.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -60.99 -43.96 98.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.843 0.682 . . . . 41.26 112.843 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.79 -43.48 75.57 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.984 -0.447 . . . . 38.16 109.877 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.1 -44.86 79.48 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 121.376 0.607 . . . . 39.07 110.694 174.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.2 m -61.67 -47.75 83.94 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.786 1.032 . . . . 30.78 113.786 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -56.36 -46.27 80.1 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 115.901 -0.59 . . . . 40.15 111.176 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.01 -36.08 82.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.339 -0.544 . . . . 36.45 111.974 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -62.52 -46.86 86.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.764 1.024 . . . . 36.87 113.764 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -59.51 -42.0 91.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.508 0.559 . . . . 36.82 112.508 172.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -58.91 -47.74 83.93 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.505 0.557 . . . . 54.63 112.505 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -56.3 -47.68 78.18 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.433 -0.803 . . . . 48.02 111.739 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.14 -46.5 90.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.762 0.664 . . . . 49.68 111.729 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -45.89 85.45 Favored 'General case' 0 C--O 1.209 -1.046 0 C-N-CA 122.93 0.492 . . . . 32.82 109.991 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.58 -48.08 83.04 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 119.791 -0.764 . . . . 42.49 111.664 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.3 m -55.63 -44.5 77.15 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 116.082 -0.508 . . . . 34.49 112.218 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -65.02 -38.81 92.14 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 122.335 0.254 . . . . 51.73 111.32 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.11 -38.39 72.33 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 121.662 -0.649 . . . . 38.96 110.693 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -59.63 -46.36 89.21 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 113.388 0.884 . . . . 39.37 113.388 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.56 -47.89 80.84 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.37 0.668 . . . . 50.25 112.021 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -38.14 84.61 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.295 -0.866 . . . . 29.73 110.33 -176.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.6 tp -69.15 -45.1 70.91 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.027 0.38 . . . . 31.04 112.027 176.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.6 61.52 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.624 -0.83 . . . . 30.81 110.599 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.07 -41.05 82.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.179 0.514 . . . . 47.12 111.811 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.87 95.33 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 109.142 -0.688 . . . . 31.04 109.142 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -54.21 -43.16 70.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.223 -0.991 . . . . 35.1 112.557 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.51 -40.96 80.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.345 0.593 . . . . 35.23 111.4 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 m -60.79 -43.56 97.97 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.659 -0.7 . . . . 30.95 110.856 171.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.93 -45.8 91.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 121.489 -0.757 . . . . 28.41 113.512 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.08 -48.03 82.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.358 1.463 . . . . 27.3 110.503 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -57.57 -51.05 71.07 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 113.66 0.985 . . . . 50.85 113.66 174.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.74 -45.54 77.98 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.152 -0.931 . . . . 25.48 112.707 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.81 -45.38 86.17 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.337 -0.847 . . . . 25.47 110.557 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.7 -40.79 79.84 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.924 -0.58 . . . . 32.52 112.522 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.36 -45.69 90.72 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 121.791 -0.568 . . . . 28.34 110.403 175.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.6 mt -62.44 -47.9 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 115.324 -0.853 . . . . 32.37 111.049 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' A' ' 97' ' ' HOH . 48.4 mtm-85 -51.88 -42.36 62.6 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.421 0.629 . . . . 46.36 110.003 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.65 -48.66 76.34 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 118.291 -1.364 . . . . 51.01 114.039 176.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.76 -38.57 78.75 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 107.442 -1.318 . . . . 43.74 107.442 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.92 -41.35 91.57 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 124.295 0.997 . . . . 46.6 108.698 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -70.19 -45.38 66.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.341 0.867 . . . . 62.38 113.341 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 2.05 2.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 113.045 0.757 . . . . 59.82 113.045 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.778 1.231 . . . . 58.43 111.497 172.482 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . 0.469 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.101 0 N-CA-C 112.735 0.643 . . . . 64.340000000000003 112.735 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.06 26.98 0.33 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.916 2.087 . . . . 68.150000000000006 113.365 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.25 -3.73 8.67 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 64.200000000000003 112.172 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' OE2' HD23 ' A' ' 12' ' ' LEU . 2.3 tm-20 -51.62 -42.44 62.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 114.816 -1.084 . . . . 59.950000000000003 111.488 167.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD23 ' OE2' ' A' ' 11' ' ' GLU . 62.7 mt -64.33 -38.99 92.98 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 113.272 0.841 . . . . 44.649999999999999 113.272 179.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.71 -36.78 70.64 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 111.913 0.338 . . . . 40.539999999999999 111.913 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.48 92.38 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 107.592 -1.262 . . . . 34.689999999999998 107.592 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -60.96 -43.15 99.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.512 -0.742 . . . . 46.810000000000002 112.194 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -55.61 -43.82 76.46 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.034 -1.066 . . . . 34.640000000000001 110.793 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.67 -41.87 93.92 Favored 'Isoleucine or valine' 0 C--O 1.245 0.854 0 CA-C-N 115.544 -0.753 . . . . 31.210000000000001 109.676 -177.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -60.99 -43.96 98.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.843 0.682 . . . . 41.259999999999998 112.843 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.79 -43.48 75.57 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.984 -0.447 . . . . 38.159999999999997 109.877 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.1 -44.86 79.48 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 121.376 0.607 . . . . 39.07 110.694 174.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.2 m -61.67 -47.75 83.94 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.786 1.032 . . . . 30.780000000000001 113.786 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -56.36 -46.27 80.1 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 115.901 -0.59 . . . . 40.149999999999999 111.176 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.01 -36.08 82.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.339 -0.544 . . . . 36.450000000000003 111.974 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -62.52 -46.86 86.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.764 1.024 . . . . 36.869999999999997 113.764 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -59.51 -42.0 91.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.508 0.559 . . . . 36.82 112.508 172.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -58.91 -47.74 83.93 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.505 0.557 . . . . 54.630000000000003 112.505 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -56.3 -47.68 78.18 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.433 -0.803 . . . . 48.020000000000003 111.739 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.14 -46.5 90.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.762 0.664 . . . . 49.68 111.729 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -45.89 85.45 Favored 'General case' 0 C--O 1.209 -1.046 0 C-N-CA 122.93 0.492 . . . . 32.82 109.991 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.58 -48.08 83.04 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 119.791 -0.764 . . . . 42.490000000000002 111.664 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.3 m -55.63 -44.5 77.15 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 116.082 -0.508 . . . . 34.490000000000002 112.218 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -65.02 -38.81 92.14 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 122.335 0.254 . . . . 51.729999999999997 111.32 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.11 -38.39 72.33 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 121.662 -0.649 . . . . 38.960000000000001 110.693 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -59.63 -46.36 89.21 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 113.388 0.884 . . . . 39.369999999999997 113.388 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.56 -47.89 80.84 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.37 0.668 . . . . 50.25 112.021 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -38.14 84.61 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.295 -0.866 . . . . 29.73 110.33 -176.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.6 tp -69.15 -45.1 70.91 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.027 0.38 . . . . 31.039999999999999 112.027 176.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.6 61.52 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.624 -0.83 . . . . 30.809999999999999 110.599 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.07 -41.05 82.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.179 0.514 . . . . 47.119999999999997 111.811 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.87 95.33 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 109.142 -0.688 . . . . 31.039999999999999 109.142 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -54.21 -43.16 70.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.223 -0.991 . . . . 36.369999999999997 112.557 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.51 -40.96 80.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.345 0.593 . . . . 35.229999999999997 111.4 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 m -60.79 -43.56 97.97 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.659 -0.7 . . . . 30.949999999999999 110.856 171.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.93 -45.8 91.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 121.489 -0.757 . . . . 28.41 113.512 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.08 -48.03 82.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.358 1.463 . . . . 27.300000000000001 110.503 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -57.57 -51.05 71.07 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 113.66 0.985 . . . . 50.850000000000001 113.66 174.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.74 -45.54 77.98 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.152 -0.931 . . . . 25.48 112.707 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.81 -45.38 86.17 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.337 -0.847 . . . . 25.469999999999999 110.557 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.7 -40.79 79.84 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.924 -0.58 . . . . 32.520000000000003 112.522 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.36 -45.69 90.72 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 121.791 -0.568 . . . . 28.34 110.403 175.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.6 mt -62.44 -47.9 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 115.324 -0.853 . . . . 32.369999999999997 111.049 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 48.4 mtm-85 -51.88 -42.36 62.6 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.421 0.629 . . . . 46.359999999999999 110.003 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.65 -48.66 76.34 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 118.291 -1.364 . . . . 51.009999999999998 114.039 176.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.76 -38.57 78.75 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 107.442 -1.318 . . . . 43.740000000000002 107.442 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.92 -41.35 91.57 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 124.295 0.997 . . . . 46.600000000000001 108.698 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 57.0 mt-10 -70.19 -45.38 66.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.341 0.867 . . . . 62.380000000000003 113.341 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 2.05 2.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 113.045 0.757 . . . . 59.82 113.045 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.778 1.231 . . . . 58.43 111.497 172.482 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . 0.402 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.101 0 N-CA-C 112.735 0.643 . . . . 64.340000000000003 112.735 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.06 26.98 0.33 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.916 2.087 . . . . 68.150000000000006 113.365 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.25 -3.73 8.67 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.017 1.727 . . . . 64.200000000000003 112.172 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' OE2' HD23 ' A' ' 12' ' ' LEU . 2.3 tm-20 -51.62 -42.44 62.0 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 114.816 -1.084 . . . . 59.950000000000003 111.488 167.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD23 ' OE2' ' A' ' 11' ' ' GLU . 62.7 mt -64.33 -38.99 92.98 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 113.272 0.841 . . . . 44.649999999999999 113.272 179.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.71 -36.78 70.64 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 111.913 0.338 . . . . 40.539999999999999 111.913 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.48 92.38 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 107.592 -1.262 . . . . 34.689999999999998 107.592 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -60.96 -43.15 99.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.512 -0.742 . . . . 46.810000000000002 112.194 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -55.61 -43.82 76.46 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.034 -1.066 . . . . 34.640000000000001 110.793 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.67 -41.87 93.92 Favored 'Isoleucine or valine' 0 C--O 1.245 0.854 0 CA-C-N 115.544 -0.753 . . . . 31.210000000000001 109.676 -177.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -60.99 -43.96 98.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.843 0.682 . . . . 41.259999999999998 112.843 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.79 -43.48 75.57 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.984 -0.447 . . . . 38.159999999999997 109.877 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.1 -44.86 79.48 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 121.376 0.607 . . . . 39.07 110.694 174.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.2 m -61.67 -47.75 83.94 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.786 1.032 . . . . 30.780000000000001 113.786 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -56.36 -46.27 80.1 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 115.901 -0.59 . . . . 40.149999999999999 111.176 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.01 -36.08 82.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.339 -0.544 . . . . 36.450000000000003 111.974 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -62.52 -46.86 86.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.764 1.024 . . . . 36.869999999999997 113.764 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -59.51 -42.0 91.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.508 0.559 . . . . 36.82 112.508 172.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -58.91 -47.74 83.93 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.505 0.557 . . . . 54.630000000000003 112.505 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -56.3 -47.68 78.18 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.433 -0.803 . . . . 48.020000000000003 111.739 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.14 -46.5 90.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.762 0.664 . . . . 49.68 111.729 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -45.89 85.45 Favored 'General case' 0 C--O 1.209 -1.046 0 C-N-CA 122.93 0.492 . . . . 32.82 109.991 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.58 -48.08 83.04 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 119.791 -0.764 . . . . 42.490000000000002 111.664 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.3 m -55.63 -44.5 77.15 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 116.082 -0.508 . . . . 34.490000000000002 112.218 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -65.02 -38.81 92.14 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 122.335 0.254 . . . . 51.729999999999997 111.32 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.11 -38.39 72.33 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 121.662 -0.649 . . . . 38.960000000000001 110.693 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -59.63 -46.36 89.21 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 113.388 0.884 . . . . 39.369999999999997 113.388 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.56 -47.89 80.84 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.37 0.668 . . . . 50.25 112.021 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -38.14 84.61 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.295 -0.866 . . . . 29.73 110.33 -176.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.6 tp -69.15 -45.1 70.91 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.027 0.38 . . . . 31.039999999999999 112.027 176.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.24 -43.6 61.52 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.624 -0.83 . . . . 30.809999999999999 110.599 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.07 -41.05 82.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.179 0.514 . . . . 47.119999999999997 111.811 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.87 95.33 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 109.142 -0.688 . . . . 31.039999999999999 109.142 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -54.21 -43.16 70.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.223 -0.991 . . . . 36.369999999999997 112.557 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.51 -40.96 80.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.345 0.593 . . . . 35.229999999999997 111.4 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 m -60.79 -43.56 97.97 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.659 -0.7 . . . . 30.949999999999999 110.856 171.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.93 -45.8 91.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 121.489 -0.757 . . . . 28.41 113.512 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.08 -48.03 82.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.358 1.463 . . . . 27.300000000000001 110.503 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -57.57 -51.05 71.07 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 113.66 0.985 . . . . 50.850000000000001 113.66 174.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.74 -45.54 77.98 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.152 -0.931 . . . . 25.48 112.707 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.81 -45.38 86.17 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.337 -0.847 . . . . 25.469999999999999 110.557 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.7 -40.79 79.84 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.924 -0.58 . . . . 32.520000000000003 112.522 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.36 -45.69 90.72 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 121.791 -0.568 . . . . 28.34 110.403 175.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.6 mt -62.44 -47.9 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 115.324 -0.853 . . . . 32.369999999999997 111.049 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 48.4 mtm-85 -51.88 -42.36 62.6 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.421 0.629 . . . . 46.359999999999999 110.003 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.65 -48.66 76.34 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 118.291 -1.364 . . . . 51.009999999999998 114.039 176.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -58.76 -38.57 78.75 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 107.442 -1.318 . . . . 43.740000000000002 107.442 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.92 -41.35 91.57 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 124.295 0.997 . . . . 46.600000000000001 108.698 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 57.0 mt-10 -70.19 -45.38 66.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.341 0.867 . . . . 62.380000000000003 113.341 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 2.05 2.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 113.045 0.757 . . . . 59.82 113.045 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.778 1.231 . . . . 58.43 111.497 172.482 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . 0.402 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_