data_3b09_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 3b09 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' OD2' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 112.328 0.492 . . . . 57.200000000000003 112.328 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -38.15 -34.33 0.12 Allowed 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 107.623 -1.251 . . . . 37.060000000000002 107.623 155.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . 0.47 ' N ' ' C ' ' A' ' 3' ' ' ASP . 94.6 m-85 -94.61 160.84 14.45 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 105.94 -1.874 . . . . 38.829999999999998 105.94 -176.405 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -104.72 42.57 1.19 Allowed 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 113.966 -3.094 . . . . 36.469999999999999 109.438 -162.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -64.71 -49.55 70.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.01 -0.995 . . . . 38.020000000000003 111.13 -151.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' MSE . . . . . . . . . . . . . 30.2 mmt -58.56 -47.09 85.39 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.504 -0.478 . . . . 59.899999999999999 109.988 178.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mp0 -58.78 -43.58 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.485 0.55 . . . . 44.140000000000001 112.485 176.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.73 -44.91 88.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.955 -0.698 . . . . 54.810000000000002 110.712 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -63.44 -46.43 86.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 26.210000000000001 112.134 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.62 98.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.047 0.539 . . . . 20.68 111.505 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -59.98 -46.26 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.231 -0.988 . . . . 22.199999999999999 110.057 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.1 -41.07 82.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.281 -0.568 . . . . 24.48 110.668 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.53 -33.15 76.08 Favored Glycine 0 N--CA 1.469 0.848 0 C-N-CA 120.715 -0.755 . . . . 21.789999999999999 113.025 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.27 -44.97 99.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 121.665 0.745 . . . . 23.960000000000001 109.879 174.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -46.79 92.37 Favored Glycine 0 N--CA 1.464 0.513 0 CA-C-N 115.598 -0.728 . . . . 18.300000000000001 112.26 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.93 -44.3 74.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.153 1.168 . . . . 31.440000000000001 114.153 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.03 -44.31 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.207 -0.597 . . . . 36.719999999999999 111.862 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MSE . . . . . . . . . . . . . 52.9 mtt -58.47 -44.15 89.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.121 1.156 . . . . 48.259999999999998 114.121 172.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.16 91.94 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.689 -0.564 . . . . 23.530000000000001 111.689 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -64.69 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.253 . . . . 50.329999999999998 110.751 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.24 -39.73 74.86 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.345 0.593 . . . . 42.32 110.184 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.32 -44.25 95.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.614 -0.721 . . . . 37.689999999999998 111.479 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.43 -25.94 68.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.381 -0.6 . . . . 37.619999999999997 109.381 -175.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.26 22.7 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.917 -0.583 . . . . 45.659999999999997 111.698 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.15 63.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 67.060000000000002 111.827 -179.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.8 p -102.28 -172.67 2.18 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 48.890000000000001 109.432 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -118.3 156.95 27.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.461 -0.496 . . . . 39.880000000000003 110.133 168.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 127.63 33.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.04 -0.527 . . . . 63.630000000000003 109.668 175.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.31 11.32 62.89 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 34.350000000000001 115.064 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 tt -65.24 133.99 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 O-C-N 122.113 -0.639 . . . . 32.719999999999999 109.718 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.47 106.65 17.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 41.18 110.567 -169.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.66 -38.33 43.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 114.495 1.294 . . . . 24.800000000000001 114.495 -168.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -60.08 -34.38 94.61 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 N-CA-C 113.796 0.652 . . . . 23.25 113.796 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.94 64.73 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.582 -0.447 . . . . 22.050000000000001 109.867 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -51.82 -50.06 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 121.467 0.651 . . . . 19.309999999999999 110.017 172.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -58.31 -45.05 88.74 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 113.35 0.87 . . . . 22.359999999999999 113.35 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.16 -48.95 78.69 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.387 0.884 . . . . 20.960000000000001 113.387 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.41 91.46 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 121.22 -0.514 . . . . 18.02 111.905 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.41 -47.32 82.48 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.988 0.423 . . . . 29.75 110.264 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.52 79.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.536 0.569 . . . . 22.149999999999999 112.536 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -56.93 -54.27 48.57 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 123.575 0.547 . . . . 30.280000000000001 109.842 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.41 98.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 114.162 1.171 . . . . 26.07 114.162 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -55.78 -44.91 78.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.159 -1.016 . . . . 28.829999999999998 112.925 174.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -6.11 46.12 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 113.913 1.079 . . . . 30.579999999999998 113.913 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.8 26.71 72.19 Favored Glycine 0 N--CA 1.467 0.734 0 CA-C-O 121.091 0.273 . . . . 29.530000000000001 113.32 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -83.32 152.44 25.11 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 122.673 0.389 . . . . 60.899999999999999 111.028 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.51 137.83 57.14 Favored 'General case' 0 C--O 1.168 -3.193 0 C-N-CA 123.63 0.772 . . . . 58.859999999999999 110.181 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 t -62.94 136.97 58.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.237 0.926 . . . . 25.969999999999999 110.305 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.08 -14.5 62.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.881 0.326 . . . . 27.370000000000001 111.881 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.88 128.43 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.107 -1.071 . . . . 29.890000000000001 108.107 -177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.7 p -63.76 154.83 32.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.823 -0.806 . . . . 30.219999999999999 108.823 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MSE . . . . . 0.707 ' CG ' ' O ' ' A' ' 96' ' ' HOH . 39.1 mmt -60.93 -32.47 71.97 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.303 -0.559 . . . . 82.790000000000006 110.318 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.98 -40.96 83.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.677 -0.692 . . . . 62.32 112.408 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.91 -40.48 87.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.806 0.299 . . . . 54.969999999999999 111.806 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.3 -50.46 73.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.858 -0.337 . . . . 24.859999999999999 111.053 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -56.25 -44.35 79.59 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.927 1.084 . . . . 46.140000000000001 113.927 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.47 -47.51 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.552 0.575 . . . . 32.789999999999999 112.552 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.51 76.05 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.958 1.096 . . . . 26.52 113.958 172.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.28 -47.67 85.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.618 -0.833 . . . . 34.200000000000003 109.684 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 m -58.32 -47.08 84.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.729 -1.123 . . . . 37.789999999999999 111.538 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.69 -44.81 95.28 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.119 0.415 . . . . 65.400000000000006 112.119 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.93 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 120.649 -0.421 . . . . 35.689999999999998 111.33 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -48.45 -37.5 17.42 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.268 0.469 . . . . 42.969999999999999 112.268 -169.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -72.89 85.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.77 -0.65 . . . . 55.299999999999997 112.087 172.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 73.810000000000002 110.421 153.722 . . . . . . . . 1 1 . 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 orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.707 ' O ' ' CG ' ' A' ' 54' ' ' MSE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' OD2' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 112.328 0.492 . . . . 57.200000000000003 112.328 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -38.15 -34.33 0.12 Allowed 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 107.623 -1.251 . . . . 37.060000000000002 107.623 155.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . 0.47 ' N ' ' C ' ' A' ' 3' ' ' ASP . 94.6 m-85 -94.61 160.84 14.45 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 105.94 -1.874 . . . . 38.829999999999998 105.94 -176.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -104.72 42.57 1.19 Allowed 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 113.966 -3.094 . . . . 36.469999999999999 109.438 -162.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -64.71 -49.55 70.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.01 -0.995 . . . . 38.020000000000003 111.13 -151.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' MSE . . . . . 0.472 ' HA ' ' HE2' ' A' ' 8' ' ' MSE . 30.2 mmt -58.56 -47.09 85.39 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.504 -0.478 . . . . 59.899999999999999 109.988 178.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mp0 -58.78 -43.58 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.485 0.55 . . . . 44.140000000000001 112.485 176.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.73 -44.91 88.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.955 -0.698 . . . . 54.810000000000002 110.712 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -63.44 -46.43 86.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 26.210000000000001 112.134 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.62 98.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.047 0.539 . . . . 20.68 111.505 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -59.98 -46.26 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.231 -0.988 . . . . 22.199999999999999 110.057 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.1 -41.07 82.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.281 -0.568 . . . . 24.48 110.668 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.53 -33.15 76.08 Favored Glycine 0 N--CA 1.469 0.848 0 C-N-CA 120.715 -0.755 . . . . 21.789999999999999 113.025 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.27 -44.97 99.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 121.665 0.745 . . . . 23.960000000000001 109.879 174.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -46.79 92.37 Favored Glycine 0 N--CA 1.464 0.513 0 CA-C-N 115.598 -0.728 . . . . 18.300000000000001 112.26 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.93 -44.3 74.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.153 1.168 . . . . 31.440000000000001 114.153 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.03 -44.31 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.207 -0.597 . . . . 36.719999999999999 111.862 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MSE . . . . . . . . . . . . . 52.9 mtt -58.47 -44.15 89.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.121 1.156 . . . . 48.259999999999998 114.121 172.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.16 91.94 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.689 -0.564 . . . . 23.530000000000001 111.689 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -64.69 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.253 . . . . 50.329999999999998 110.751 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -70.24 -39.73 74.86 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.345 0.593 . . . . 42.850000000000001 110.184 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 28' ' ' SER . 6.8 mt -63.32 -44.25 95.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.614 -0.721 . . . . 37.689999999999998 111.479 176.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.43 -25.94 68.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.381 -0.6 . . . . 37.619999999999997 109.381 -175.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.26 22.7 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.917 -0.583 . . . . 45.659999999999997 111.698 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.15 63.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 67.060000000000002 111.827 -179.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . 0.697 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 59.8 p -102.28 -172.67 2.18 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 48.890000000000001 109.432 175.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -118.3 156.95 27.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.461 -0.496 . . . . 39.880000000000003 110.133 168.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 127.63 33.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.04 -0.527 . . . . 63.630000000000003 109.668 175.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.31 11.32 62.89 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 34.350000000000001 115.064 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 tt -65.24 133.99 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 O-C-N 122.113 -0.639 . . . . 32.719999999999999 109.718 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.47 106.65 17.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 41.18 110.567 -169.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.66 -38.33 43.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 114.495 1.294 . . . . 24.800000000000001 114.495 -168.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -60.08 -34.38 94.61 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 N-CA-C 113.796 0.652 . . . . 23.25 113.796 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.94 64.73 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.582 -0.447 . . . . 22.050000000000001 109.867 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -51.82 -50.06 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 121.467 0.651 . . . . 19.309999999999999 110.017 172.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -58.31 -45.05 88.74 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 113.35 0.87 . . . . 22.359999999999999 113.35 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.16 -48.95 78.69 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.387 0.884 . . . . 20.960000000000001 113.387 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.41 91.46 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 121.22 -0.514 . . . . 18.02 111.905 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.41 -47.32 82.48 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.988 0.423 . . . . 29.75 110.264 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.52 79.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.536 0.569 . . . . 22.149999999999999 112.536 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 89.7 m-20 -56.93 -54.27 48.57 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 123.575 0.547 . . . . 30.280000000000001 109.842 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.41 98.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 114.162 1.171 . . . . 26.07 114.162 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -55.78 -44.91 78.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.159 -1.016 . . . . 28.829999999999998 112.925 174.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -6.11 46.12 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 113.913 1.079 . . . . 30.579999999999998 113.913 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.8 26.71 72.19 Favored Glycine 0 N--CA 1.467 0.734 0 CA-C-O 121.091 0.273 . . . . 29.530000000000001 113.32 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HE3' ' OD1' ' A' ' 43' ' ' ASP . 5.6 ttpt -83.32 152.44 25.11 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 122.673 0.389 . . . . 60.899999999999999 111.028 -179.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.51 137.83 57.14 Favored 'General case' 0 C--O 1.168 -3.193 0 C-N-CA 123.63 0.772 . . . . 58.859999999999999 110.181 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 t -62.94 136.97 58.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.237 0.926 . . . . 25.969999999999999 110.305 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.08 -14.5 62.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.881 0.326 . . . . 27.370000000000001 111.881 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.88 128.43 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.107 -1.071 . . . . 29.890000000000001 108.107 -177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.7 p -63.76 154.83 32.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.823 -0.806 . . . . 30.219999999999999 108.823 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MSE . . . . . 1.15 ' HG3' ' O ' ' A' ' 96' ' ' HOH . 39.1 mmt -60.93 -32.47 71.97 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.303 -0.559 . . . . 82.790000000000006 110.318 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.98 -40.96 83.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.677 -0.692 . . . . 62.32 112.408 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.91 -40.48 87.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.806 0.299 . . . . 54.969999999999999 111.806 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.3 -50.46 73.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.858 -0.337 . . . . 24.859999999999999 111.053 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -56.25 -44.35 79.59 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.927 1.084 . . . . 46.140000000000001 113.927 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.47 -47.51 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.552 0.575 . . . . 32.789999999999999 112.552 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.51 76.05 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.958 1.096 . . . . 26.52 113.958 172.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.28 -47.67 85.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.618 -0.833 . . . . 34.200000000000003 109.684 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 m -58.32 -47.08 84.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.729 -1.123 . . . . 37.789999999999999 111.538 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.69 -44.81 95.28 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.119 0.415 . . . . 65.400000000000006 112.119 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.93 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 120.649 -0.421 . . . . 35.689999999999998 111.33 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -48.45 -37.5 17.42 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.268 0.469 . . . . 42.969999999999999 112.268 -169.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -72.89 85.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.77 -0.65 . . . . 55.299999999999997 112.087 172.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 73.810000000000002 110.421 153.722 . . . . . . . . 1 1 . 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 build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 1.15 ' O ' ' HG3' ' A' ' 54' ' ' MSE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' OD2' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 112.328 0.492 . . . . 57.200000000000003 112.328 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -38.15 -34.33 0.12 Allowed 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 107.623 -1.251 . . . . 37.060000000000002 107.623 155.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.47 ' N ' ' C ' ' A' ' 3' ' ' ASP . 94.6 m-85 -94.61 160.84 14.45 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 105.94 -1.874 . . . . 38.829999999999998 105.94 -176.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -104.72 42.57 1.19 Allowed 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 113.966 -3.094 . . . . 36.469999999999999 109.438 -162.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -64.71 -49.55 70.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.01 -0.995 . . . . 38.020000000000003 111.13 -151.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' MSE . . . . . 0.472 ' HA ' ' HE2' ' A' ' 8' ' ' MSE . 30.2 mmt -58.56 -47.09 85.39 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.504 -0.478 . . . . 59.899999999999999 109.988 178.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mp0 -58.78 -43.58 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.485 0.55 . . . . 44.140000000000001 112.485 176.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.73 -44.91 88.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.955 -0.698 . . . . 54.810000000000002 110.712 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -63.44 -46.43 86.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 26.210000000000001 112.134 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.62 98.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.047 0.539 . . . . 20.68 111.505 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -59.98 -46.26 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.231 -0.988 . . . . 22.199999999999999 110.057 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.1 -41.07 82.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.281 -0.568 . . . . 24.48 110.668 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.53 -33.15 76.08 Favored Glycine 0 N--CA 1.469 0.848 0 C-N-CA 120.715 -0.755 . . . . 21.789999999999999 113.025 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.27 -44.97 99.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 121.665 0.745 . . . . 23.960000000000001 109.879 174.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -46.79 92.37 Favored Glycine 0 N--CA 1.464 0.513 0 CA-C-N 115.598 -0.728 . . . . 18.300000000000001 112.26 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -54.93 -44.3 74.13 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.153 1.168 . . . . 31.440000000000001 114.153 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.03 -44.31 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.207 -0.597 . . . . 36.719999999999999 111.862 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MSE . . . . . . . . . . . . . 52.9 mtt -58.47 -44.15 89.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.121 1.156 . . . . 48.259999999999998 114.121 172.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.16 91.94 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.689 -0.564 . . . . 23.530000000000001 111.689 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -64.69 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.253 . . . . 50.329999999999998 110.751 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.24 -39.73 74.86 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.345 0.593 . . . . 42.850000000000001 110.184 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 28' ' ' SER . 6.8 mt -63.32 -44.25 95.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.614 -0.721 . . . . 37.689999999999998 111.479 176.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.43 -25.94 68.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.381 -0.6 . . . . 37.619999999999997 109.381 -175.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.1 -38.26 22.7 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.917 -0.583 . . . . 45.659999999999997 111.698 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.15 63.08 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 67.060000000000002 111.827 -179.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . 0.697 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 59.8 p -102.28 -172.67 2.18 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 48.890000000000001 109.432 175.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -118.3 156.95 27.97 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.461 -0.496 . . . . 39.880000000000003 110.133 168.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.1 127.63 33.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.04 -0.527 . . . . 63.630000000000003 109.668 175.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.31 11.32 62.89 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 34.350000000000001 115.064 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.9 tt -65.24 133.99 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 O-C-N 122.113 -0.639 . . . . 32.719999999999999 109.718 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.47 106.65 17.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 41.18 110.567 -169.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.66 -38.33 43.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 114.495 1.294 . . . . 24.800000000000001 114.495 -168.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -60.08 -34.38 94.61 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 N-CA-C 113.796 0.652 . . . . 23.25 113.796 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.94 64.73 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.582 -0.447 . . . . 22.050000000000001 109.867 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -51.82 -50.06 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 121.467 0.651 . . . . 19.309999999999999 110.017 172.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -58.31 -45.05 88.74 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 113.35 0.87 . . . . 22.359999999999999 113.35 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.16 -48.95 78.69 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.387 0.884 . . . . 20.960000000000001 113.387 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.76 -42.41 91.46 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 121.22 -0.514 . . . . 18.02 111.905 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.41 -47.32 82.48 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.988 0.423 . . . . 29.75 110.264 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.52 79.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.536 0.569 . . . . 22.149999999999999 112.536 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 89.7 m-20 -56.93 -54.27 48.57 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 123.575 0.547 . . . . 30.280000000000001 109.842 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.41 98.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 114.162 1.171 . . . . 26.07 114.162 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -55.78 -44.91 78.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.159 -1.016 . . . . 28.829999999999998 112.925 174.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.32 -6.11 46.12 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 113.913 1.079 . . . . 30.579999999999998 113.913 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.8 26.71 72.19 Favored Glycine 0 N--CA 1.467 0.734 0 CA-C-O 121.091 0.273 . . . . 29.530000000000001 113.32 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HE3' ' OD1' ' A' ' 43' ' ' ASP . 5.6 ttpt -83.32 152.44 25.11 Favored 'General case' 0 C--O 1.22 -0.472 0 C-N-CA 122.673 0.389 . . . . 60.899999999999999 111.028 -179.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.51 137.83 57.14 Favored 'General case' 0 C--O 1.168 -3.193 0 C-N-CA 123.63 0.772 . . . . 58.859999999999999 110.181 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 t -62.94 136.97 58.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.237 0.926 . . . . 25.969999999999999 110.305 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.08 -14.5 62.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.881 0.326 . . . . 27.370000000000001 111.881 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.88 128.43 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.107 -1.071 . . . . 29.890000000000001 108.107 -177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.7 p -63.76 154.83 32.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.823 -0.806 . . . . 30.219999999999999 108.823 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MSE . . . . . 1.15 ' HG3' ' O ' ' A' ' 96' ' ' HOH . 39.1 mmt -60.93 -32.47 71.97 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.303 -0.559 . . . . 82.790000000000006 110.318 -178.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.98 -40.96 83.02 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.677 -0.692 . . . . 62.32 112.408 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.91 -40.48 87.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.806 0.299 . . . . 54.969999999999999 111.806 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.3 -50.46 73.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.858 -0.337 . . . . 24.859999999999999 111.053 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -56.25 -44.35 79.59 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.927 1.084 . . . . 46.140000000000001 113.927 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.47 -47.51 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.552 0.575 . . . . 32.789999999999999 112.552 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.51 76.05 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.958 1.096 . . . . 26.52 113.958 172.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.28 -47.67 85.0 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.618 -0.833 . . . . 34.200000000000003 109.684 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 m -58.32 -47.08 84.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.729 -1.123 . . . . 37.789999999999999 111.538 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.69 -44.81 95.28 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.119 0.415 . . . . 65.400000000000006 112.119 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.93 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 120.649 -0.421 . . . . 35.689999999999998 111.33 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -48.45 -37.5 17.42 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.268 0.469 . . . . 42.969999999999999 112.268 -169.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -72.89 85.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.77 -0.65 . . . . 55.299999999999997 112.087 172.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 73.810000000000002 110.421 153.722 . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 1.15 ' O ' ' HG3' ' A' ' 54' ' ' MSE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_