data_6v50_residue ############################ # Computer software used # ############################ 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 6v50 _Structure_validation_residue.Date_analyzed 2020-04-24 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.324 . . . . . . . . 43.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.85 -35.47 80.75 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.563 -0.532 . . . . 52.05 109.563 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.13 -47.0 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 120.193 -0.603 . . . . 41.4 110.334 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.41 -27.79 65.59 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.709 -0.796 . . . . 56.74 111.101 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.54 98.22 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.203 -0.599 . . . . 33.9 110.968 167.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.41 -48.04 79.48 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.421 -0.511 . . . . 42.93 111.0 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -50.36 -38.99 45.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.658 0.266 . . . . 56.47 111.524 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -45.25 64.79 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.612 0.244 . . . . 30.31 111.066 -177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -60.32 -41.69 94.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.803 0.335 . . . . 42.62 110.944 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 120.903 0.382 . . . . 27.56 110.334 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.6 -39.15 93.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.913 -0.715 . . . . 37.17 111.302 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.62 83.87 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.705 -0.398 . . . . 28.77 111.024 174.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.61 -43.79 75.64 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.735 -0.386 . . . . 26.14 111.276 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -57.17 -41.17 78.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.003 0.43 . . . . 34.15 111.081 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.81 -44.83 92.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.843 -0.743 . . . . 39.95 110.873 178.475 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -71.03 -35.83 72.14 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.752 -0.779 . . . . 31.97 111.21 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.09 -37.99 80.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 119.893 -0.723 . . . . 21.62 110.253 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 103' ' ' HOH . 30.6 tt0 -66.04 -41.4 90.93 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.101 -0.64 . . . . 31.48 111.473 176.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -61.97 -40.78 96.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.265 -1.374 . . . . 47.64 110.935 175.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.11 -38.71 92.05 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.432 -0.507 . . . . 19.74 111.49 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.77 -41.95 97.89 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.787 -0.765 . . . . 23.13 110.95 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -63.82 -42.08 97.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.797 -0.183 . . . . 40.81 111.395 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.77 -45.58 85.76 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.229 -0.589 . . . . 28.11 110.909 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.42 -37.39 78.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 119.459 -0.897 . . . . 22.17 110.178 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.74 -42.91 99.59 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 119.286 -0.966 . . . . 22.87 110.885 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.87 89.04 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 120.41 -0.516 . . . . 24.28 111.138 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -66.48 -41.6 88.73 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.483 -0.887 . . . . 27.29 111.404 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.62 -34.62 78.66 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.932 -0.707 . . . . 34.98 111.658 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.35 -11.16 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.817 0.673 . . . . 26.81 112.817 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.7 25.57 75.39 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.485 -1.34 . . . . 36.85 112.775 -175.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -59.33 131.12 50.03 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 117.531 0.666 . . . . 40.17 110.011 178.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 113.551 0.945 . . . . 46.2 113.551 174.155 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 41.2 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.47 -36.83 79.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.088 0.555 . . . . 52.85 111.747 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 t -66.98 -43.48 89.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.063 -0.655 . . . . 41.38 110.841 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 -24.58 51.04 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.381 -0.927 . . . . 61.48 111.804 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.57 90.81 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.273 -0.571 . . . . 33.47 110.537 164.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.47 -44.49 93.0 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.7 -0.8 . . . . 41.64 110.657 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.51 -44.52 65.76 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.011 -0.276 . . . . 56.87 111.3 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 -42.1 75.96 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 121.063 -0.255 . . . . 32.47 111.286 -174.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -62.99 -39.94 96.27 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.75 -0.38 . . . . 40.64 110.654 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.63 -44.02 96.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 120.737 0.303 . . . . 27.97 110.753 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.46 -29.77 65.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 118.647 -1.221 . . . . 41.52 111.67 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.42 85.64 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 119.788 -0.765 . . . . 27.03 110.747 169.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.89 -41.98 70.59 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.754 -0.378 . . . . 26.64 110.979 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.09 -43.56 87.12 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.04 0.447 . . . . 30.22 111.049 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.4 t -58.68 -52.17 66.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.671 -0.812 . . . . 36.92 110.849 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -62.25 -39.63 93.5 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.292 -0.563 . . . . 23.84 111.324 -177.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 t -66.76 -45.5 87.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 120.441 -0.504 . . . . 21.15 110.752 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' B' ' 102' ' ' HOH . 33.4 tt0 -59.55 -40.83 88.57 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 118.837 -1.145 . . . . 33.65 111.108 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.17 -42.99 96.14 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.104 -1.038 . . . . 42.76 111.483 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.83 -37.01 85.09 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.676 -0.81 . . . . 19.75 111.86 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -62.08 -45.91 91.42 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.648 -0.421 . . . . 22.91 111.185 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.68 -40.07 93.65 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.601 0.239 . . . . 44.64 111.296 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -63.52 -46.84 84.18 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.932 -0.707 . . . . 23.21 110.81 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.25 -36.99 69.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 119.661 -0.816 . . . . 21.69 110.479 -174.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.21 -39.56 93.17 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 119.337 -0.945 . . . . 23.4 110.854 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.02 87.18 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 119.823 -0.751 . . . . 23.46 111.037 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.66 -42.4 96.96 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.306 -0.958 . . . . 26.7 110.95 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 39.6 mt-10 -69.92 -33.78 72.62 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.19 -0.604 . . . . 34.93 112.62 -177.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -89.42 -13.79 36.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.812 0.671 . . . . 33.47 112.812 -174.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.22 77.61 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.809 -0.71 . . . . 38.15 113.906 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -57.9 124.72 20.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 117.664 0.732 . . . . 42.74 110.801 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.83 0.678 . . . . 46.7 112.83 172.284 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.449 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.424 ' O ' ' OE2' ' B' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.711 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.324 . . . . . . . . 43.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.85 -35.47 80.75 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.563 -0.532 . . . . 52.05 109.563 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.13 -47.0 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 120.193 -0.603 . . . . 41.4 110.334 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HA ' ' HG3' ' A' ' 6' ' ' GLU . 38.1 tt0 -69.41 -27.79 65.59 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.709 -0.796 . . . . 56.74 111.101 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.54 98.22 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.203 -0.599 . . . . 33.9 110.968 167.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.41 -48.04 79.48 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.421 -0.511 . . . . 42.93 111.0 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 3' ' ' GLU . 14.1 mt-10 -50.36 -38.99 45.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.658 0.266 . . . . 56.47 111.524 -179.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -45.25 64.79 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.612 0.244 . . . . 30.31 111.066 -177.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -60.32 -41.69 94.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.803 0.335 . . . . 42.62 110.944 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 120.903 0.382 . . . . 27.56 110.334 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.6 -39.15 93.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.913 -0.715 . . . . 37.17 111.302 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.62 83.87 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.705 -0.398 . . . . 28.77 111.024 174.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.61 -43.79 75.64 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.735 -0.386 . . . . 26.14 111.276 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -57.17 -41.17 78.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.003 0.43 . . . . 34.15 111.081 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.81 -44.83 92.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.843 -0.743 . . . . 39.95 110.873 178.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -71.03 -35.83 72.14 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.752 -0.779 . . . . 31.97 111.21 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.09 -37.99 80.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 119.893 -0.723 . . . . 21.62 110.253 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -66.04 -41.4 90.93 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.101 -0.64 . . . . 31.48 111.473 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -61.97 -40.78 96.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.265 -1.374 . . . . 47.64 110.935 175.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.11 -38.71 92.05 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.432 -0.507 . . . . 19.74 111.49 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.77 -41.95 97.89 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.787 -0.765 . . . . 23.13 110.95 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -63.82 -42.08 97.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.797 -0.183 . . . . 40.81 111.395 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.77 -45.58 85.76 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.229 -0.589 . . . . 28.11 110.909 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.42 -37.39 78.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 119.459 -0.897 . . . . 22.17 110.178 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.74 -42.91 99.59 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 119.286 -0.966 . . . . 22.87 110.885 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' ' CE3' ' A' ' 30' ' ' TRP . . . -58.84 -45.87 89.04 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 120.41 -0.516 . . . . 24.28 111.138 176.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -66.48 -41.6 88.73 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.483 -0.887 . . . . 27.29 111.404 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.62 -34.62 78.66 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.932 -0.707 . . . . 34.98 111.658 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.35 -11.16 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.817 0.673 . . . . 26.81 112.817 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.7 25.57 75.39 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.485 -1.34 . . . . 36.85 112.775 -175.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 25' ' ' ALA . 49.4 m0 -59.33 131.12 50.03 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 117.531 0.666 . . . . 40.17 110.011 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 113.551 0.945 . . . . 46.2 113.551 174.155 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 41.2 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.47 -36.83 79.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.088 0.555 . . . . 52.85 111.747 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 t -66.98 -43.48 89.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.063 -0.655 . . . . 41.38 110.841 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 -24.58 51.04 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.381 -0.927 . . . . 61.48 111.804 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.57 90.81 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.273 -0.571 . . . . 33.47 110.537 164.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.47 -44.49 93.0 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.7 -0.8 . . . . 41.64 110.657 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 10' ' ' GLU . 25.5 mt-10 -52.51 -44.52 65.76 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.011 -0.276 . . . . 56.87 111.3 178.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 -42.1 75.96 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 121.063 -0.255 . . . . 32.47 111.286 -174.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -62.99 -39.94 96.27 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.75 -0.38 . . . . 40.64 110.654 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.63 -44.02 96.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 120.737 0.303 . . . . 27.97 110.753 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 6' ' ' GLU . 4.2 pt-20 -71.46 -29.77 65.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 118.647 -1.221 . . . . 41.52 111.67 179.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.42 85.64 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 119.788 -0.765 . . . . 27.03 110.747 169.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.89 -41.98 70.59 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.754 -0.378 . . . . 26.64 110.979 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.09 -43.56 87.12 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.04 0.447 . . . . 30.22 111.049 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.4 t -58.68 -52.17 66.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.671 -0.812 . . . . 36.92 110.849 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -62.25 -39.63 93.5 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.292 -0.563 . . . . 23.84 111.324 -177.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 t -66.76 -45.5 87.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 120.441 -0.504 . . . . 21.15 110.752 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' B' ' 102' ' ' HOH . 33.4 tt0 -59.55 -40.83 88.57 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 118.837 -1.145 . . . . 33.65 111.108 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.17 -42.99 96.14 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.104 -1.038 . . . . 42.76 111.483 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.83 -37.01 85.09 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.676 -0.81 . . . . 19.75 111.86 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -62.08 -45.91 91.42 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.648 -0.421 . . . . 22.91 111.185 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.68 -40.07 93.65 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.601 0.239 . . . . 44.64 111.296 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -63.52 -46.84 84.18 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.932 -0.707 . . . . 23.21 110.81 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.25 -36.99 69.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 119.661 -0.816 . . . . 21.69 110.479 -174.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.21 -39.56 93.17 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 119.337 -0.945 . . . . 23.4 110.854 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . 0.423 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . . . -63.76 -46.02 87.18 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 119.823 -0.751 . . . . 23.46 111.037 176.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.66 -42.4 96.96 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.306 -0.958 . . . . 26.7 110.95 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 39.6 mt-10 -69.92 -33.78 72.62 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.19 -0.604 . . . . 34.93 112.62 -177.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -89.42 -13.79 36.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.812 0.671 . . . . 33.47 112.812 -174.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.22 77.61 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.809 -0.71 . . . . 38.15 113.906 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' B' ' 25' ' ' ALA . 47.6 m0 -57.9 124.72 20.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 117.664 0.732 . . . . 42.74 110.801 178.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.83 0.678 . . . . 46.7 112.83 172.284 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.424 ' O ' ' OE2' ' B' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.449 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.324 . . . . . . . . 43.759999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.85 -35.47 80.75 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.563 -0.532 . . . . 52.049999999999997 109.563 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.13 -47.0 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 120.193 -0.603 . . . . 41.399999999999999 110.334 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' HA ' ' HG3' ' A' ' 6' ' ' GLU . 38.1 tt0 -69.41 -27.79 65.59 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.709 -0.796 . . . . 56.740000000000002 111.101 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.54 98.22 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.203 -0.599 . . . . 33.899999999999999 110.968 167.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.41 -48.04 79.48 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.421 -0.511 . . . . 42.93 111.0 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' A' ' 3' ' ' GLU . 14.1 mt-10 -50.36 -38.99 45.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.658 0.266 . . . . 56.469999999999999 111.524 -179.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -45.25 64.79 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.612 0.244 . . . . 30.309999999999999 111.066 -177.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -60.32 -41.69 94.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.803 0.335 . . . . 42.619999999999997 110.944 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 120.903 0.382 . . . . 27.559999999999999 110.334 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.6 -39.15 93.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.913 -0.715 . . . . 37.170000000000002 111.302 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.62 83.87 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.705 -0.398 . . . . 28.77 111.024 174.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.61 -43.79 75.64 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.735 -0.386 . . . . 26.140000000000001 111.276 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -57.17 -41.17 78.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.003 0.43 . . . . 34.149999999999999 111.081 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.81 -44.83 92.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.843 -0.743 . . . . 39.950000000000003 110.873 178.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -71.03 -35.83 72.14 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.752 -0.779 . . . . 31.969999999999999 111.21 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.09 -37.99 80.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 119.893 -0.723 . . . . 21.620000000000001 110.253 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -66.04 -41.4 90.93 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.101 -0.64 . . . . 31.48 111.473 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -61.97 -40.78 96.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.265 -1.374 . . . . 47.640000000000001 110.935 175.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.11 -38.71 92.05 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.432 -0.507 . . . . 19.739999999999998 111.49 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.77 -41.95 97.89 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.787 -0.765 . . . . 23.129999999999999 110.95 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -63.82 -42.08 97.74 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.797 -0.183 . . . . 40.810000000000002 111.395 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.77 -45.58 85.76 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.229 -0.589 . . . . 28.109999999999999 110.909 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.42 -37.39 78.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.683 0 C-N-CA 119.459 -0.897 . . . . 22.170000000000002 110.178 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.74 -42.91 99.59 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 119.286 -0.966 . . . . 22.870000000000001 110.885 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' ' CE3' ' A' ' 30' ' ' TRP . . . -58.84 -45.87 89.04 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 120.41 -0.516 . . . . 24.280000000000001 111.138 176.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -66.48 -41.6 88.73 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.483 -0.887 . . . . 27.289999999999999 111.404 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.62 -34.62 78.66 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.932 -0.707 . . . . 34.979999999999997 111.658 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.35 -11.16 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.817 0.673 . . . . 26.809999999999999 112.817 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.7 25.57 75.39 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.485 -1.34 . . . . 36.850000000000001 112.775 -175.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 25' ' ' ALA . 49.4 m0 -59.33 131.12 50.03 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 117.531 0.666 . . . . 40.170000000000002 110.011 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 113.551 0.945 . . . . 46.200000000000003 113.551 174.155 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 41.200000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.47 -36.83 79.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.088 0.555 . . . . 52.850000000000001 111.747 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.3 t -66.98 -43.48 89.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.063 -0.655 . . . . 41.380000000000003 110.841 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.27 -24.58 51.04 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.381 -0.927 . . . . 61.479999999999997 111.804 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.57 90.81 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.273 -0.571 . . . . 33.469999999999999 110.537 164.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.47 -44.49 93.0 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.7 -0.8 . . . . 41.640000000000001 110.657 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 10' ' ' GLU . 25.5 mt-10 -52.51 -44.52 65.76 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.011 -0.276 . . . . 56.869999999999997 111.3 178.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 -42.1 75.96 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 121.063 -0.255 . . . . 32.469999999999999 111.286 -174.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -62.99 -39.94 96.27 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.75 -0.38 . . . . 40.640000000000001 110.654 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.63 -44.02 96.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 120.737 0.303 . . . . 27.969999999999999 110.753 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 6' ' ' GLU . 4.2 pt-20 -71.46 -29.77 65.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 118.647 -1.221 . . . . 41.520000000000003 111.67 179.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.42 85.64 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 119.788 -0.765 . . . . 27.030000000000001 110.747 169.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.89 -41.98 70.59 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.754 -0.378 . . . . 26.640000000000001 110.979 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.09 -43.56 87.12 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.04 0.447 . . . . 30.219999999999999 111.049 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.4 t -58.68 -52.17 66.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.671 -0.812 . . . . 36.920000000000002 110.849 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -62.25 -39.63 93.5 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.292 -0.563 . . . . 23.84 111.324 -177.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 t -66.76 -45.5 87.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 120.441 -0.504 . . . . 21.149999999999999 110.752 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' B' ' 102' ' ' HOH . 33.4 tt0 -59.55 -40.83 88.57 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 118.837 -1.145 . . . . 33.649999999999999 111.108 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.17 -42.99 96.14 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.104 -1.038 . . . . 42.759999999999998 111.483 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.83 -37.01 85.09 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.676 -0.81 . . . . 19.75 111.86 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -62.08 -45.91 91.42 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.648 -0.421 . . . . 22.91 111.185 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.68 -40.07 93.65 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.601 0.239 . . . . 44.640000000000001 111.296 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -63.52 -46.84 84.18 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.932 -0.707 . . . . 23.210000000000001 110.81 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -70.25 -36.99 69.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 119.661 -0.816 . . . . 21.690000000000001 110.479 -174.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.21 -39.56 93.17 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 119.337 -0.945 . . . . 23.399999999999999 110.854 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.423 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . . . -63.76 -46.02 87.18 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 119.823 -0.751 . . . . 23.460000000000001 111.037 176.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.66 -42.4 96.96 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.306 -0.958 . . . . 26.699999999999999 110.95 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 39.6 mt-10 -69.92 -33.78 72.62 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.19 -0.604 . . . . 34.93 112.62 -177.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -89.42 -13.79 36.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.812 0.671 . . . . 33.469999999999999 112.812 -174.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.22 77.61 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.809 -0.71 . . . . 38.149999999999999 113.906 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' B' ' 25' ' ' ALA . 47.6 m0 -57.9 124.72 20.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 117.664 0.732 . . . . 42.740000000000002 110.801 178.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.83 0.678 . . . . 46.700000000000003 112.83 172.284 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.424 ' O ' ' OE2' ' B' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.449 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_