data_2iji_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 2iji _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.281 0 N-CA-C 109.117 -1.593 . . . . 48.840000000000003 109.117 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 p -67.13 150.62 48.91 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-N 114.34 -0.93 . . . . 52.969999999999999 109.906 -141.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -81.28 -21.38 39.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.687 -1.597 . . . . 49.689999999999998 106.941 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -63.42 -41.58 98.71 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 117.462 -1.256 . . . . 53.289999999999999 113.243 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -60.01 -48.87 79.91 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 117.524 2.416 . . . . 57.539999999999999 117.524 173.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -58.68 -45.82 88.59 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.047 1.499 . . . . 46.859999999999999 115.047 167.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 m -58.44 -23.26 57.06 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 118.532 -1.267 . . . . 45.469999999999999 112.691 177.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.39 -28.68 15.39 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 107.562 -1.273 . . . . 42.600000000000001 107.562 -172.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.34 -44.32 83.63 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.84 -48.54 66.96 Favored 'General case' 0 CA--C 1.561 1.383 1 N-CA-C 123.155 4.502 . . . . 54.600000000000001 123.155 168.622 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . . . -67.93 -34.11 75.97 Favored 'General case' 0 CA--C 1.453 -2.773 0 O-C-N 121.075 -1.015 . . . . 43.07 109.447 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.0 -33.84 57.52 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.245 -1.021 . . . . 38.119999999999997 108.245 -175.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -57.66 -59.04 5.8 Favored 'General case' 0 C--O 1.18 -2.595 0 CA-C-O 117.655 -1.164 . . . . 49.630000000000003 108.09 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.45 -26.91 68.76 Favored 'General case' 0 C--O 1.196 -1.741 0 C-N-CA 126.08 1.752 . . . . 58.009999999999998 113.079 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -77.89 -34.92 20.09 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 O-C-N 120.353 -1.467 . . . . 38.729999999999997 107.593 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -27.61 36.93 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 121.512 -0.743 . . . . 61.43 109.107 174.087 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.284 0.4 OUTLIER -90.27 -51.06 5.63 Favored 'General case' 0 CA--C 1.472 -2.056 0 C-N-CA 125.671 1.588 . . . . 39.100000000000001 112.685 -169.079 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -54.49 -38.88 66.99 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-N 113.943 -1.481 . . . . 49.859999999999999 114.301 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 p -68.21 -27.06 66.05 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.618 -1.174 . . . . 33.149999999999999 113.536 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.14 -53.88 6.55 Favored 'General case' 0 CA--C 1.488 -1.437 0 C-N-CA 124.362 1.065 . . . . 40.280000000000001 108.535 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -51.58 -47.94 63.34 Favored 'General case' 0 C--O 1.205 -1.237 0 N-CA-C 113.365 0.876 . . . . 40.630000000000003 113.365 169.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.24 -35.17 74.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.268 0.84 . . . . 34.369999999999997 113.268 172.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 tp -68.76 -52.8 26.57 Favored 'General case' 0 CA--C 1.467 -2.244 0 N-CA-C 105.018 -2.216 . . . . 38.420000000000002 105.018 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -46.48 -53.39 11.3 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 125.833 1.958 . . . . 42.399999999999999 115.809 170.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -60.39 -29.65 69.08 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.591 0.589 . . . . 45.68 112.591 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -82.11 -19.05 40.89 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 114.323 1.231 . . . . 42.149999999999999 114.323 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -71.17 -53.79 13.26 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 122.794 1.283 . . . . 45.140000000000001 110.046 166.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.65 -1.159 . . . . 65.819999999999993 108.629 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 mt -81.54 0.15 39.41 Favored 'General case' 0 N--CA 1.427 -1.618 0 CA-C-O 118.668 -0.682 . . . . 48.700000000000003 111.911 -173.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 41.99 33.51 0.37 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.835 1.198 . . . . 59.079999999999998 113.946 -170.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.58 86.78 4.53 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 100.874 -3.751 . . . . 52.560000000000002 100.874 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -99.78 -25.68 14.29 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.441 0.904 . . . . 64.530000000000001 113.441 -156.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -55.53 -62.09 1.91 Allowed 'General case' 0 C--O 1.245 0.826 0 C-N-CA 118.978 -1.089 . . . . 65.709999999999994 108.881 166.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -25.34 33.36 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 127.323 2.249 . . . . 52.740000000000002 116.462 172.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.61 -67.61 0.42 Allowed 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 106.582 -1.636 . . . . 48.380000000000003 106.582 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -29.49 -53.49 0.13 Allowed 'General case' 0 C--O 1.258 1.542 0 N-CA-C 115.664 1.727 . . . . 51.990000000000002 115.664 163.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.4 mt -55.94 -39.39 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 CA-C-N 119.253 0.933 . . . . 43.549999999999997 113.363 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.2 t -79.78 -21.09 44.8 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 122.604 1.193 . . . . 43.060000000000002 110.837 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.03 -49.25 62.59 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.11 -1.619 . . . . 58.049999999999997 111.929 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.2 m -49.26 -68.85 0.14 Allowed 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.847 -1.524 . . . . 49.490000000000002 111.156 164.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.5 tp -34.22 -56.22 0.5 Allowed 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 112.856 0.687 . . . . 41.68 112.856 170.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -57.85 -50.65 72.59 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 119.974 -1.704 . . . . 47.630000000000003 109.378 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . 0.251 41.0 m-20 -63.04 -35.74 81.25 Favored 'General case' 0 C--O 1.203 -1.371 0 CA-C-O 117.037 -1.459 . . . . 48.829999999999998 113.803 -173.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -71.74 -22.92 61.55 Favored 'General case' 0 N--CA 1.535 3.78 0 CA-C-N 120.881 1.673 . . . . 49.280000000000001 113.884 171.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.66 -18.56 35.0 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 115.341 -0.845 . . . . 45.409999999999997 112.092 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -83.36 -36.69 24.17 Favored 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 120.102 -0.639 . . . . 56.549999999999997 111.458 159.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -53.33 -48.18 68.68 Favored 'General case' 0 C--O 1.274 2.357 0 CA-C-N 119.458 1.027 . . . . 56.359999999999999 111.631 171.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.22 -51.54 63.18 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.183 0.992 . . . . 49.030000000000001 112.993 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -49.18 -39.82 30.85 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 119.106 -1.038 . . . . 59.75 112.135 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -84.81 -21.71 29.79 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 117.918 -1.513 . . . . 66.040000000000006 109.156 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.87 -38.85 92.47 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 109.046 -0.724 . . . . 55.130000000000003 109.046 171.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.39 -43.11 61.24 Favored 'General case' 0 C--O 1.259 1.582 0 C-N-CA 124.656 1.182 . . . . 55.909999999999997 110.009 -176.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.57 -45.04 56.9 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.709 -0.678 . . . . 57.759999999999998 112.151 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.13 -78.99 0.06 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.976 1.31 . . . . 60.890000000000001 112.521 -172.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.97 -40.15 0.27 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.966 2.106 . . . . 72.019999999999996 114.57 168.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--O 1.268 2.044 0 CA-C-O 123.103 1.43 . . . . 61.520000000000003 114.312 167.022 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.281 0 N-CA-C 109.117 -1.593 . . . . 48.84 109.117 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 p -67.13 150.62 48.91 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-N 114.34 -0.93 . . . . 52.97 109.906 -141.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -81.28 -21.38 39.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.687 -1.597 . . . . 49.69 106.941 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -63.42 -41.58 98.71 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 117.462 -1.256 . . . . 53.29 113.243 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HG2' ' CE1' ' A' ' 56' ' ' PHE . 92.9 mt-10 -60.01 -48.87 79.91 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 117.524 2.416 . . . . 57.54 117.524 173.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -58.68 -45.82 88.59 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.047 1.499 . . . . 46.86 115.047 167.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 m -58.44 -23.26 57.06 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 118.532 -1.267 . . . . 45.47 112.691 177.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.39 -28.68 15.39 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 107.562 -1.273 . . . . 42.6 107.562 -172.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.34 -44.32 83.63 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.84 -48.54 66.96 Favored 'General case' 0 CA--C 1.561 1.383 1 N-CA-C 123.155 4.502 . . . . 54.6 123.155 168.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . . . -67.93 -34.11 75.97 Favored 'General case' 0 CA--C 1.453 -2.773 0 O-C-N 121.075 -1.015 . . . . 43.07 109.447 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.0 -33.84 57.52 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.245 -1.021 . . . . 38.12 108.245 -175.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -57.66 -59.04 5.8 Favored 'General case' 0 C--O 1.18 -2.595 0 CA-C-O 117.655 -1.164 . . . . 49.63 108.09 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.45 -26.91 68.76 Favored 'General case' 0 C--O 1.196 -1.741 0 C-N-CA 126.08 1.752 . . . . 58.01 113.079 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -77.89 -34.92 20.09 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 O-C-N 120.353 -1.467 . . . . 38.73 107.593 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.565 HH11 ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.32 -27.61 36.93 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 121.512 -0.743 . . . . 61.43 109.107 174.087 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.284 0.4 OUTLIER -90.27 -51.06 5.63 Favored 'General case' 0 CA--C 1.472 -2.056 0 C-N-CA 125.671 1.588 . . . . 39.1 112.685 -169.079 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -54.49 -38.88 66.99 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-N 113.943 -1.481 . . . . 49.86 114.301 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 p -68.21 -27.06 66.05 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.618 -1.174 . . . . 33.15 113.536 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.14 -53.88 6.55 Favored 'General case' 0 CA--C 1.488 -1.437 0 C-N-CA 124.362 1.065 . . . . 40.28 108.535 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -51.58 -47.94 63.34 Favored 'General case' 0 C--O 1.205 -1.237 0 N-CA-C 113.365 0.876 . . . . 40.63 113.365 169.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.24 -35.17 74.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.268 0.84 . . . . 34.37 113.268 172.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 tp -68.76 -52.8 26.57 Favored 'General case' 0 CA--C 1.467 -2.244 0 N-CA-C 105.018 -2.216 . . . . 38.42 105.018 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -46.48 -53.39 11.3 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 125.833 1.958 . . . . 42.4 115.809 170.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -60.39 -29.65 69.08 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.591 0.589 . . . . 45.68 112.591 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -82.11 -19.05 40.89 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 114.323 1.231 . . . . 42.15 114.323 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 67' ' ' HOH . 79.6 m-20 -71.17 -53.79 13.26 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 122.794 1.283 . . . . 45.14 110.046 166.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.65 -1.159 . . . . 65.82 108.629 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 mt -81.54 0.15 39.41 Favored 'General case' 0 N--CA 1.427 -1.618 0 CA-C-O 118.668 -0.682 . . . . 48.7 111.911 -173.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 41.99 33.51 0.37 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.835 1.198 . . . . 59.08 113.946 -170.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.58 86.78 4.53 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 100.874 -3.751 . . . . 52.56 100.874 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -99.78 -25.68 14.29 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.441 0.904 . . . . 64.53 113.441 -156.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -55.53 -62.09 1.91 Allowed 'General case' 0 C--O 1.245 0.826 0 C-N-CA 118.978 -1.089 . . . . 65.71 108.881 166.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -55.28 -25.34 33.36 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 127.323 2.249 . . . . 52.74 116.462 172.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.61 -67.61 0.42 Allowed 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 106.582 -1.636 . . . . 48.38 106.582 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -29.49 -53.49 0.13 Allowed 'General case' 0 C--O 1.258 1.542 0 N-CA-C 115.664 1.727 . . . . 51.99 115.664 163.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.4 mt -55.94 -39.39 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 CA-C-N 119.253 0.933 . . . . 43.55 113.363 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.2 t -79.78 -21.09 44.8 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 122.604 1.193 . . . . 43.06 110.837 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.03 -49.25 62.59 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.11 -1.619 . . . . 58.05 111.929 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.2 m -49.26 -68.85 0.14 Allowed 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.847 -1.524 . . . . 49.49 111.156 164.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.5 tp -34.22 -56.22 0.5 Allowed 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 112.856 0.687 . . . . 41.68 112.856 170.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -57.85 -50.65 72.59 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 119.974 -1.704 . . . . 47.63 109.378 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . 0.251 41.0 m-20 -63.04 -35.74 81.25 Favored 'General case' 0 C--O 1.203 -1.371 0 CA-C-O 117.037 -1.459 . . . . 48.83 113.803 -173.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -71.74 -22.92 61.55 Favored 'General case' 0 N--CA 1.535 3.78 0 CA-C-N 120.881 1.673 . . . . 49.28 113.884 171.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.66 -18.56 35.0 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 115.341 -0.845 . . . . 45.41 112.092 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' OD1' ' HD2' ' A' ' 50' ' ' ARG . 30.7 t70 -83.36 -36.69 24.17 Favored 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 120.102 -0.639 . . . . 56.55 111.458 159.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -53.33 -48.18 68.68 Favored 'General case' 0 C--O 1.274 2.357 0 CA-C-N 119.458 1.027 . . . . 56.36 111.631 171.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.22 -51.54 63.18 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.183 0.992 . . . . 49.03 112.993 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -49.18 -39.82 30.85 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 119.106 -1.038 . . . . 59.75 112.135 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HD2' ' OD1' ' A' ' 46' ' ' ASP . 5.2 mtt85 -84.81 -21.71 29.79 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 117.918 -1.513 . . . . 66.04 109.156 -173.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.87 -38.85 92.47 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 109.046 -0.724 . . . . 55.13 109.046 171.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.39 -43.11 61.24 Favored 'General case' 0 C--O 1.259 1.582 0 C-N-CA 124.656 1.182 . . . . 55.91 110.009 -176.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.57 -45.04 56.9 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.709 -0.678 . . . . 57.76 112.151 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.13 -78.99 0.06 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.976 1.31 . . . . 60.89 112.521 -172.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.97 -40.15 0.27 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.966 2.106 . . . . 72.02 114.57 168.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE1' ' HG2' ' A' ' 5' ' ' GLU . 12.8 m-85 . . . . . 0 C--O 1.268 2.044 0 CA-C-O 123.103 1.43 . . . . 61.52 114.312 167.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.281 0 N-CA-C 109.117 -1.593 . . . . 48.840000000000003 109.117 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 p -67.13 150.62 48.91 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-N 114.34 -0.93 . . . . 52.969999999999999 109.906 -141.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -81.28 -21.38 39.39 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.687 -1.597 . . . . 49.689999999999998 106.941 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -63.42 -41.58 98.71 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 117.462 -1.256 . . . . 53.289999999999999 113.243 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HG2' ' CE1' ' A' ' 56' ' ' PHE . 92.9 mt-10 -60.01 -48.87 79.91 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 117.524 2.416 . . . . 57.539999999999999 117.524 173.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -58.68 -45.82 88.59 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.047 1.499 . . . . 46.859999999999999 115.047 167.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 m -58.44 -23.26 57.06 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 118.532 -1.267 . . . . 45.469999999999999 112.691 177.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.39 -28.68 15.39 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 107.562 -1.273 . . . . 42.600000000000001 107.562 -172.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.34 -44.32 83.63 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 106.827 -1.546 . . . . 50.0 106.827 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.84 -48.54 66.96 Favored 'General case' 0 CA--C 1.561 1.383 1 N-CA-C 123.155 4.502 . . . . 54.600000000000001 123.155 168.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . . . -67.93 -34.11 75.97 Favored 'General case' 0 CA--C 1.453 -2.773 0 O-C-N 121.075 -1.015 . . . . 43.07 109.447 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.0 -33.84 57.52 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.245 -1.021 . . . . 38.119999999999997 108.245 -175.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -57.66 -59.04 5.8 Favored 'General case' 0 C--O 1.18 -2.595 0 CA-C-O 117.655 -1.164 . . . . 49.630000000000003 108.09 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.45 -26.91 68.76 Favored 'General case' 0 C--O 1.196 -1.741 0 C-N-CA 126.08 1.752 . . . . 58.009999999999998 113.079 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -77.89 -34.92 20.09 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.54 0 O-C-N 120.353 -1.467 . . . . 38.729999999999997 107.593 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 HH11 ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -54.32 -27.61 36.93 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 121.512 -0.743 . . . . 61.43 109.107 174.087 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.284 0.4 OUTLIER -90.27 -51.06 5.63 Favored 'General case' 0 CA--C 1.472 -2.056 0 C-N-CA 125.671 1.588 . . . . 39.100000000000001 112.685 -169.079 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -54.49 -38.88 66.99 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-N 113.943 -1.481 . . . . 49.859999999999999 114.301 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 p -68.21 -27.06 66.05 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.618 -1.174 . . . . 33.149999999999999 113.536 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 tp -79.14 -53.88 6.55 Favored 'General case' 0 CA--C 1.488 -1.437 0 C-N-CA 124.362 1.065 . . . . 40.280000000000001 108.535 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -51.58 -47.94 63.34 Favored 'General case' 0 C--O 1.205 -1.237 0 N-CA-C 113.365 0.876 . . . . 40.630000000000003 113.365 169.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.24 -35.17 74.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.268 0.84 . . . . 34.369999999999997 113.268 172.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 tp -68.76 -52.8 26.57 Favored 'General case' 0 CA--C 1.467 -2.244 0 N-CA-C 105.018 -2.216 . . . . 38.420000000000002 105.018 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -46.48 -53.39 11.3 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 125.833 1.958 . . . . 42.399999999999999 115.809 170.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -60.39 -29.65 69.08 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.591 0.589 . . . . 45.68 112.591 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -82.11 -19.05 40.89 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 114.323 1.231 . . . . 42.149999999999999 114.323 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 67' ' ' HOH . 79.6 m-20 -71.17 -53.79 13.26 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 122.794 1.283 . . . . 45.140000000000001 110.046 166.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.65 -1.159 . . . . 65.819999999999993 108.629 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 mt -81.54 0.15 39.41 Favored 'General case' 0 N--CA 1.427 -1.618 0 CA-C-O 118.668 -0.682 . . . . 48.700000000000003 111.911 -173.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 41.99 33.51 0.37 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.835 1.198 . . . . 59.079999999999998 113.946 -170.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.58 86.78 4.53 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 100.874 -3.751 . . . . 52.560000000000002 100.874 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -99.78 -25.68 14.29 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.441 0.904 . . . . 64.530000000000001 113.441 -156.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -55.53 -62.09 1.91 Allowed 'General case' 0 C--O 1.245 0.826 0 C-N-CA 118.978 -1.089 . . . . 65.709999999999994 108.881 166.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -25.34 33.36 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 127.323 2.249 . . . . 52.740000000000002 116.462 172.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.61 -67.61 0.42 Allowed 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 106.582 -1.636 . . . . 48.380000000000003 106.582 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -29.49 -53.49 0.13 Allowed 'General case' 0 C--O 1.258 1.542 0 N-CA-C 115.664 1.727 . . . . 51.990000000000002 115.664 163.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.4 mt -55.94 -39.39 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 CA-C-N 119.253 0.933 . . . . 43.549999999999997 113.363 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.2 t -79.78 -21.09 44.8 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 122.604 1.193 . . . . 43.060000000000002 110.837 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.03 -49.25 62.59 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.11 -1.619 . . . . 58.049999999999997 111.929 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.2 m -49.26 -68.85 0.14 Allowed 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.847 -1.524 . . . . 49.490000000000002 111.156 164.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.5 tp -34.22 -56.22 0.5 Allowed 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 112.856 0.687 . . . . 41.68 112.856 170.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -57.85 -50.65 72.59 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 119.974 -1.704 . . . . 47.630000000000003 109.378 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . 0.251 41.0 m-20 -63.04 -35.74 81.25 Favored 'General case' 0 C--O 1.203 -1.371 0 CA-C-O 117.037 -1.459 . . . . 48.829999999999998 113.803 -173.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -71.74 -22.92 61.55 Favored 'General case' 0 N--CA 1.535 3.78 0 CA-C-N 120.881 1.673 . . . . 49.280000000000001 113.884 171.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.66 -18.56 35.0 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 115.341 -0.845 . . . . 45.409999999999997 112.092 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' OD1' ' HD2' ' A' ' 50' ' ' ARG . 30.7 t70 -83.36 -36.69 24.17 Favored 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 120.102 -0.639 . . . . 56.549999999999997 111.458 159.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -53.33 -48.18 68.68 Favored 'General case' 0 C--O 1.274 2.357 0 CA-C-N 119.458 1.027 . . . . 56.359999999999999 111.631 171.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.22 -51.54 63.18 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.183 0.992 . . . . 49.030000000000001 112.993 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -49.18 -39.82 30.85 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 119.106 -1.038 . . . . 59.75 112.135 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HD2' ' OD1' ' A' ' 46' ' ' ASP . 5.2 mtt85 -84.81 -21.71 29.79 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 117.918 -1.513 . . . . 66.040000000000006 109.156 -173.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.87 -38.85 92.47 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 109.046 -0.724 . . . . 55.130000000000003 109.046 171.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.39 -43.11 61.24 Favored 'General case' 0 C--O 1.259 1.582 0 C-N-CA 124.656 1.182 . . . . 55.909999999999997 110.009 -176.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.57 -45.04 56.9 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.709 -0.678 . . . . 57.759999999999998 112.151 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.13 -78.99 0.06 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.976 1.31 . . . . 60.890000000000001 112.521 -172.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.97 -40.15 0.27 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.966 2.106 . . . . 72.019999999999996 114.57 168.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE1' ' HG2' ' A' ' 5' ' ' GLU . 12.8 m-85 . . . . . 0 C--O 1.268 2.044 0 CA-C-O 123.103 1.43 . . . . 61.520000000000003 114.312 167.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_