data_6iqf_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 6iqf _Structure_validation_residue.Date_analyzed 2019-11-01 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 ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 110.25 -0.278 . . . . 51.509999999999998 110.25 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -63.54 -32.14 73.51 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.8 -1.16 . . . . 37.880000000000003 110.901 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -63.12 -31.33 72.45 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.038 0.385 . . . . 31.760000000000002 112.038 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -67.09 -31.58 72.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.642 -1.223 . . . . 41.530000000000001 111.524 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -62.9 -38.67 91.88 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.338 -0.945 . . . . 40.829999999999998 110.741 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.12 -51.35 35.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 120.035 -0.666 . . . . 25.850000000000001 110.296 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.12 -43.86 90.6 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.228 -0.589 . . . . 40.030000000000001 111.812 -172.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -94.74 -24.73 16.99 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.932 1.086 . . . . 45.82 113.932 -171.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -122.64 -10.83 8.31 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 115.121 1.526 . . . . 32.850000000000001 115.121 -169.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -110.03 -38.41 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 118.877 0.762 . . . . 25.829999999999998 112.132 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 98.6 mmm -91.88 24.48 3.18 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.281 0.474 . . . . 33.560000000000002 112.281 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 p -87.67 167.86 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.043 0.925 . . . . 41.93 110.476 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.36 141.03 43.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.562 -0.745 . . . . 47.530000000000001 110.41 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.68 108.3 8.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 107.815 -1.18 . . . . 41.670000000000002 107.815 174.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.41 40.95 15.84 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.359 0.599 . . . . 46.039999999999999 111.546 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.39 79.95 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 116.006 1.162 . . . . 41.130000000000003 116.006 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -110.95 166.1 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.734 1.267 . . . . 36.969999999999999 110.535 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -145.24 141.45 28.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 52.590000000000003 109.476 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.02 149.59 9.04 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.725 0.774 . . . . 25.32 110.129 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -76.22 -36.49 58.54 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.536 -0.757 . . . . 29.309999999999999 111.223 171.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.37 163.31 37.4 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.575 -0.898 . . . . 22.989999999999998 108.575 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.07 159.62 32.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.894 . . . . 20.920000000000002 108.665 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.14 160.35 24.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.06 -0.973 . . . . 22.539999999999999 110.155 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.8 mt -124.16 119.19 56.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.6 -1.63 . . . . 25.449999999999999 106.6 167.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.47 143.9 42.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.323 0.649 . . . . 35.469999999999999 110.176 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.46 155.55 36.37 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 118.665 -1.731 . . . . 30.09 111.126 166.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.25 2.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 116.581 -2.047 . . . . 39.649999999999999 112.399 173.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -96.46 2.49 52.59 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 113.03 0.752 . . . . 44.149999999999999 113.03 170.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.37 -12.83 68.12 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 115.527 0.971 . . . . 36.759999999999998 115.527 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.7 p -71.85 143.93 49.25 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 118.842 1.321 . . . . 40.189999999999998 109.904 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -82.06 119.05 30.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.869 -0.789 . . . . 30.59 108.869 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -90.55 -29.13 18.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.097 0.406 . . . . 30.41 112.097 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.76 151.06 12.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.405 -1.331 . . . . 26.73 107.405 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -160.54 157.7 27.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.666 -0.814 . . . . 38.340000000000003 109.883 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.1 p -79.9 169.97 17.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.853 -1.067 . . . . 24.670000000000002 110.026 169.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 1.4 m-80 -63.9 -46.07 86.5 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.213 -0.595 . . . . 46.710000000000001 111.674 -171.874 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.43 14.85 10.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.475 0.546 . . . . 44.890000000000001 112.475 -173.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.7 133.93 79.24 Favored Pre-proline 0 C--O 1.236 0.372 0 C-N-CA 119.405 -0.918 . . . . 29.73 109.4 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.7 163.5 35.65 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-O 122.555 0.981 . . . . 32.469999999999999 112.502 -173.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -79.29 116.89 19.82 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.897 -1.047 . . . . 55.590000000000003 108.588 171.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.57 134.87 28.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.68 -0.859 . . . . 40.140000000000001 108.68 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -81.59 153.21 70.64 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 51.960000000000001 110.739 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -58.07 -38.77 90.31 Favored 'Trans proline' 0 C--O 1.237 0.46 0 N-CA-C 113.765 0.641 . . . . 41.859999999999999 113.765 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -70.46 -28.56 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.165 -1.014 . . . . 52.0 111.682 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.39 -45.54 83.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.462 -0.495 . . . . 38.780000000000001 110.563 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -62.24 -39.41 83.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 120.911 0.386 . . . . 39.399999999999999 110.636 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.45 -44.02 97.4 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.566 -0.454 . . . . 44.109999999999999 111.244 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.42 94.47 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.331 -0.937 . . . . 30.140000000000001 112.376 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -65.36 -50.41 73.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 O-C-N 122.312 -0.523 . . . . 29.93 110.879 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -59.05 -41.08 87.04 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.113 -0.635 . . . . 43.119999999999997 111.166 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.71 -38.63 91.63 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.172 -0.611 . . . . 40.119999999999997 111.116 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.25 -30.0 69.78 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.423 -0.511 . . . . 33.299999999999997 112.037 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.58 -45.75 91.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 119.804 -0.759 . . . . 27.140000000000001 111.238 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 p -89.62 -15.22 33.22 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.966 0.728 . . . . 34.43 112.966 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.2 m -135.24 82.81 40.31 Favored Pre-proline 0 C--O 1.245 0.862 0 N-CA-C 108.944 -0.761 . . . . 37.909999999999997 108.944 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -55.9 146.99 65.07 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 120.652 0.901 . . . . 33.460000000000001 111.35 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.48 -1.74 72.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.401 -0.818 . . . . 28.960000000000001 114.977 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.1 m -70.25 -45.1 67.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.285 1.043 . . . . 32.5 111.285 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -87.53 -29.56 21.23 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.496 0.925 . . . . 31.989999999999998 113.496 -172.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.85 -42.7 91.17 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 114.574 1.324 . . . . 33.5 114.574 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -65.23 -33.07 50.41 Favored 'Trans proline' 0 C--O 1.238 0.513 0 CA-C-N 121.234 1.476 . . . . 39.950000000000003 114.561 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.3 p -99.71 -20.3 16.34 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 112.993 0.738 . . . . 39.670000000000002 112.993 -174.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.5 166.27 42.11 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 122.782 1.212 . . . . 33.079999999999998 111.7 -167.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.1 tp -103.33 119.64 39.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.447 -0.946 . . . . 36.380000000000003 108.447 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -105.49 133.1 50.79 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.359 -0.608 . . . . 41.850000000000001 109.359 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.4 mt -134.58 107.74 7.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.581 -1.637 . . . . 37.960000000000001 106.581 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.66 36.15 77.22 Favored Glycine 0 C--O 1.238 0.371 0 C-N-CA 120.037 -1.077 . . . . 45.729999999999997 112.904 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.99 -7.7 65.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 115.816 1.086 . . . . 45.170000000000002 115.816 -178.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -88.33 130.5 35.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.879 1.34 . . . . 52.350000000000001 108.626 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -93.02 126.48 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.684 -0.234 . . . . 47.090000000000003 110.39 -175.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -114.49 143.82 44.34 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 108.077 -1.082 . . . . 36.189999999999998 108.077 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttt -87.01 133.74 33.55 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.065 -1.457 . . . . 58.200000000000003 107.065 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.8 t -72.58 133.01 32.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 119.646 -0.821 . . . . 34.670000000000002 109.333 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.49 -164.42 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.316 -0.402 . . . . 31.100000000000001 110.267 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -64.75 129.23 39.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.042 0.449 . . . . 49.18 111.869 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.74 -159.54 9.84 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.372 -0.691 . . . . 30.879999999999999 111.372 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -131.67 126.42 20.98 Favored Pre-proline 0 C--O 1.244 0.816 0 N-CA-C 107.25 -1.389 . . . . 51.530000000000001 107.25 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -58.38 131.82 45.06 Favored 'Trans proline' 0 CA--C 1.518 -0.313 0 C-N-CA 121.072 1.182 . . . . 28.41 112.468 -171.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.94 28.92 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.963 -1.017 . . . . 29.690000000000001 112.48 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.56 -53.78 0.28 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.076 -0.649 . . . . 25.02 111.965 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.77 131.72 43.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 122.049 -0.407 . . . . 26.670000000000002 110.335 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.1 mt -112.44 134.81 53.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.975 -1.491 . . . . 28.050000000000001 106.975 170.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -128.42 139.13 52.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.577 -0.527 . . . . 34.729999999999997 109.577 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.43 157.58 22.59 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.093 -1.203 . . . . 25.68 110.093 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -129.79 141.5 50.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.251 -0.648 . . . . 38.060000000000002 109.251 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -138.95 89.91 2.4 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 105.312 -2.107 . . . . 45.130000000000003 105.312 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.74 -131.25 43.44 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.588 -1.768 . . . . 30.789999999999999 110.557 -173.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.26 5.8 36.47 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.991 -0.711 . . . . 33.759999999999998 112.408 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.35 178.49 20.6 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-O 122.254 0.919 . . . . 26.039999999999999 110.859 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.43 -169.54 39.99 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 117.98 -2.057 . . . . 22.489999999999998 112.008 -177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.57 145.47 17.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 108.446 -0.946 . . . . 24.5 108.446 -174.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.22 134.35 50.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.574 -1.269 . . . . 24.219999999999999 107.574 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.97 121.79 61.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 107.773 -1.195 . . . . 24.489999999999998 107.773 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -114.49 128.82 56.53 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.728 -0.471 . . . . 30.02 109.728 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -89.55 129.83 35.96 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.74 -0.837 . . . . 28.280000000000001 108.74 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 p -110.35 -169.16 1.41 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.6 -0.889 . . . . 29.559999999999999 108.6 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -63.26 -42.95 99.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 37.890000000000001 111.23 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.1 mt -116.3 -14.79 11.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 114.099 1.148 . . . . 36.810000000000002 114.099 -174.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.31 175.5 9.54 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.026 0.83 . . . . 27.25 110.173 -161.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.9 mt -128.55 127.3 42.09 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.247 -1.76 . . . . 31.07 106.247 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.79 126.6 59.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.837 -1.172 . . . . 23.210000000000001 107.837 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.54 138.75 51.16 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 122.931 0.492 . . . . 23.350000000000001 110.037 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.89 133.25 6.8 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 110.462 -1.055 . . . . 21.289999999999999 110.462 165.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.3 mt -115.55 128.38 72.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 107.858 -1.164 . . . . 30.350000000000001 107.858 177.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -123.69 156.58 35.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.893 0.854 . . . . 28.59 110.759 -176.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -131.4 164.7 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.097 -1.41 . . . . 36.079999999999998 108.746 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.26 139.04 47.09 Favored Pre-proline 0 C--O 1.24 0.583 0 CA-C-N 115.819 -0.628 . . . . 41.590000000000003 109.362 174.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -99.19 13.26 27.38 Favored 'Cis proline' 0 CA--C 1.518 -0.32 0 N-CA-C 114.804 1.04 . . . . 32.090000000000003 114.804 7.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 21.8 ttt -64.07 140.22 58.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.661 -1.216 . . . . 32.049999999999997 108.683 174.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 38.4 p -94.37 157.62 37.1 Favored Pre-proline 0 C--N 1.348 0.507 0 CA-C-N 115.946 -0.57 . . . . 31.170000000000002 110.215 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.89 -38.68 86.05 Favored 'Trans proline' 0 C--O 1.239 0.531 0 O-C-N 121.827 0.383 . . . . 31.329999999999998 112.558 173.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.65 -36.79 93.57 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.233 -0.984 . . . . 26.190000000000001 112.724 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.04 -44.33 80.47 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.592 -0.843 . . . . 37.759999999999998 111.578 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.88 -46.05 92.14 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.274 -0.57 . . . . 25.530000000000001 110.724 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.57 -41.77 86.43 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.987 -0.685 . . . . 30.309999999999999 110.833 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.9 ttt -61.81 -48.3 81.23 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.203 -0.599 . . . . 51.759999999999998 111.454 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.29 -40.94 80.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 118.566 -1.254 . . . . 29.93 110.631 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.55 -47.71 56.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.104 0.478 . . . . 24.120000000000001 110.622 -176.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.27 -35.29 71.32 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.967 -0.693 . . . . 43.509999999999998 111.328 -174.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -67.02 -41.33 86.81 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 119.549 -0.86 . . . . 38.869999999999997 111.22 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.46 -41.78 93.0 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.564 -1.254 . . . . 32.090000000000003 110.764 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -57.79 -41.06 93.8 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 119.898 -1.144 . . . . 25.52 112.289 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.35 -35.33 77.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.271 -0.972 . . . . 43.149999999999999 111.719 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -60.34 -44.81 95.18 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.692 -0.403 . . . . 32.859999999999999 110.342 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -39.32 93.77 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.047 -0.661 . . . . 29.239999999999998 111.289 -178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.8 -41.31 88.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-O 120.858 0.361 . . . . 31.760000000000002 110.555 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -62.52 -27.67 69.31 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.054 -0.404 . . . . 43.609999999999999 111.832 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.9 m -81.07 -1.54 44.6 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.635 0.606 . . . . 40.280000000000001 112.635 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 75.5 27.47 63.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.108 -0.568 . . . . 43.509999999999998 114.058 -170.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-N 117.91 0.855 . . . . 39.719999999999999 110.425 -175.581 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.586 ' O ' ' ND2' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 110.25 -0.278 . . . . 51.51 110.25 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -63.54 -32.14 73.51 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.8 -1.16 . . . . 37.88 110.901 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -63.12 -31.33 72.45 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.038 0.385 . . . . 31.76 112.038 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -67.09 -31.58 72.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.642 -1.223 . . . . 41.53 111.524 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -62.9 -38.67 91.88 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.338 -0.945 . . . . 40.83 110.741 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.12 -51.35 35.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 120.035 -0.666 . . . . 25.85 110.296 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.12 -43.86 90.6 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.228 -0.589 . . . . 40.03 111.812 -172.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -94.74 -24.73 16.99 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.932 1.086 . . . . 45.82 113.932 -171.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -122.64 -10.83 8.31 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 115.121 1.526 . . . . 32.85 115.121 -169.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -110.03 -38.41 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 118.877 0.762 . . . . 25.83 112.132 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 98.6 mmm -91.88 24.48 3.18 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.281 0.474 . . . . 33.56 112.281 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 p -87.67 167.86 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.043 0.925 . . . . 41.93 110.476 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.36 141.03 43.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.562 -0.745 . . . . 47.53 110.41 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.68 108.3 8.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 107.815 -1.18 . . . . 41.67 107.815 174.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.41 40.95 15.84 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.359 0.599 . . . . 46.04 111.546 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.39 79.95 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 116.006 1.162 . . . . 41.13 116.006 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -110.95 166.1 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.734 1.267 . . . . 36.97 110.535 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -145.24 141.45 28.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 52.59 109.476 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.02 149.59 9.04 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.725 0.774 . . . . 25.32 110.129 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -76.22 -36.49 58.54 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.536 -0.757 . . . . 29.31 111.223 171.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.37 163.31 37.4 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.575 -0.898 . . . . 22.99 108.575 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.07 159.62 32.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.894 . . . . 20.92 108.665 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.14 160.35 24.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.06 -0.973 . . . . 22.54 110.155 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.8 mt -124.16 119.19 56.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.6 -1.63 . . . . 25.45 106.6 167.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.47 143.9 42.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.323 0.649 . . . . 35.47 110.176 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.46 155.55 36.37 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 118.665 -1.731 . . . . 30.09 111.126 166.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' O ' ' HD3' ' A' ' 51' ' ' LYS . 78.3 mt-30 -66.25 2.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 116.581 -2.047 . . . . 39.65 112.399 173.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -96.46 2.49 52.59 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 113.03 0.752 . . . . 44.15 113.03 170.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.37 -12.83 68.12 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 115.527 0.971 . . . . 36.76 115.527 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.7 p -71.85 143.93 49.25 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 118.842 1.321 . . . . 40.19 109.904 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -82.06 119.05 30.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.869 -0.789 . . . . 30.59 108.869 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -90.55 -29.13 18.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.097 0.406 . . . . 30.41 112.097 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.76 151.06 12.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.405 -1.331 . . . . 26.73 107.405 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -160.54 157.7 27.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.666 -0.814 . . . . 38.34 109.883 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.1 p -79.9 169.97 17.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.853 -1.067 . . . . 24.67 110.026 169.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 1.4 m-80 -63.9 -46.07 86.5 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.213 -0.595 . . . . 46.71 111.674 -171.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.43 14.85 10.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.475 0.546 . . . . 44.89 112.475 -173.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.7 133.93 79.24 Favored Pre-proline 0 C--O 1.236 0.372 0 C-N-CA 119.405 -0.918 . . . . 29.73 109.4 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.7 163.5 35.65 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-O 122.555 0.981 . . . . 32.47 112.502 -173.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -79.29 116.89 19.82 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.897 -1.047 . . . . 55.59 108.588 171.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.57 134.87 28.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.68 -0.859 . . . . 40.14 108.68 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -81.59 153.21 70.64 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 51.96 110.739 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -58.07 -38.77 90.31 Favored 'Trans proline' 0 C--O 1.237 0.46 0 N-CA-C 113.765 0.641 . . . . 41.86 113.765 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -70.46 -28.56 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.165 -1.014 . . . . 52.0 111.682 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.39 -45.54 83.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.462 -0.495 . . . . 38.78 110.563 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.3 mm -62.24 -39.41 83.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 120.911 0.386 . . . . 39.4 110.636 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.45 -44.02 97.4 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.566 -0.454 . . . . 44.11 111.244 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.42 94.47 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.331 -0.937 . . . . 30.14 112.376 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -65.36 -50.41 73.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 O-C-N 122.312 -0.523 . . . . 29.93 110.879 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 34.3 mtmt -59.05 -41.08 87.04 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.113 -0.635 . . . . 43.12 111.166 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.71 -38.63 91.63 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.172 -0.611 . . . . 40.12 111.116 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.25 -30.0 69.78 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.423 -0.511 . . . . 33.3 112.037 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.58 -45.75 91.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 119.804 -0.759 . . . . 27.14 111.238 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 p -89.62 -15.22 33.22 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.966 0.728 . . . . 34.43 112.966 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.2 m -135.24 82.81 40.31 Favored Pre-proline 0 C--O 1.245 0.862 0 N-CA-C 108.944 -0.761 . . . . 37.91 108.944 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -55.9 146.99 65.07 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 120.652 0.901 . . . . 33.46 111.35 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.48 -1.74 72.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.401 -0.818 . . . . 28.96 114.977 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.1 m -70.25 -45.1 67.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.285 1.043 . . . . 32.5 111.285 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -87.53 -29.56 21.23 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.496 0.925 . . . . 31.99 113.496 -172.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.85 -42.7 91.17 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 114.574 1.324 . . . . 33.5 114.574 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -65.23 -33.07 50.41 Favored 'Trans proline' 0 C--O 1.238 0.513 0 CA-C-N 121.234 1.476 . . . . 39.95 114.561 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.3 p -99.71 -20.3 16.34 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 112.993 0.738 . . . . 39.67 112.993 -174.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.5 166.27 42.11 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 122.782 1.212 . . . . 33.08 111.7 -167.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.1 tp -103.33 119.64 39.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.447 -0.946 . . . . 36.38 108.447 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -105.49 133.1 50.79 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.359 -0.608 . . . . 41.85 109.359 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.4 mt -134.58 107.74 7.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.581 -1.637 . . . . 37.96 106.581 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.66 36.15 77.22 Favored Glycine 0 C--O 1.238 0.371 0 C-N-CA 120.037 -1.077 . . . . 45.73 112.904 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.99 -7.7 65.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 115.816 1.086 . . . . 45.17 115.816 -178.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -88.33 130.5 35.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.879 1.34 . . . . 52.35 108.626 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -93.02 126.48 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.684 -0.234 . . . . 47.09 110.39 -175.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -114.49 143.82 44.34 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 108.077 -1.082 . . . . 36.19 108.077 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttt -87.01 133.74 33.55 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.065 -1.457 . . . . 58.2 107.065 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.8 t -72.58 133.01 32.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 119.646 -0.821 . . . . 34.67 109.333 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.49 -164.42 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.316 -0.402 . . . . 31.1 110.267 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -64.75 129.23 39.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.042 0.449 . . . . 49.18 111.869 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.74 -159.54 9.84 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.372 -0.691 . . . . 30.88 111.372 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -131.67 126.42 20.98 Favored Pre-proline 0 C--O 1.244 0.816 0 N-CA-C 107.25 -1.389 . . . . 51.53 107.25 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -58.38 131.82 45.06 Favored 'Trans proline' 0 CA--C 1.518 -0.313 0 C-N-CA 121.072 1.182 . . . . 28.41 112.468 -171.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.94 28.92 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.963 -1.017 . . . . 29.69 112.48 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.56 -53.78 0.28 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.076 -0.649 . . . . 25.02 111.965 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.77 131.72 43.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 122.049 -0.407 . . . . 26.67 110.335 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.1 mt -112.44 134.81 53.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.975 -1.491 . . . . 28.05 106.975 170.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -128.42 139.13 52.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.577 -0.527 . . . . 34.73 109.577 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.43 157.58 22.59 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.093 -1.203 . . . . 25.68 110.093 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -129.79 141.5 50.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.251 -0.648 . . . . 38.06 109.251 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -138.95 89.91 2.4 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 105.312 -2.107 . . . . 45.13 105.312 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.74 -131.25 43.44 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.588 -1.768 . . . . 30.79 110.557 -173.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.26 5.8 36.47 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.991 -0.711 . . . . 33.76 112.408 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.35 178.49 20.6 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-O 122.254 0.919 . . . . 26.04 110.859 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.43 -169.54 39.99 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 117.98 -2.057 . . . . 22.49 112.008 -177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.57 145.47 17.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 108.446 -0.946 . . . . 24.5 108.446 -174.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.22 134.35 50.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.574 -1.269 . . . . 24.22 107.574 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.97 121.79 61.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 107.773 -1.195 . . . . 24.49 107.773 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -114.49 128.82 56.53 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.728 -0.471 . . . . 30.02 109.728 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -89.55 129.83 35.96 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.74 -0.837 . . . . 28.28 108.74 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 p -110.35 -169.16 1.41 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.6 -0.889 . . . . 29.56 108.6 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -63.26 -42.95 99.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 37.89 111.23 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.1 mt -116.3 -14.79 11.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 114.099 1.148 . . . . 36.81 114.099 -174.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.31 175.5 9.54 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.026 0.83 . . . . 27.25 110.173 -161.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.9 mt -128.55 127.3 42.09 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.247 -1.76 . . . . 31.07 106.247 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.79 126.6 59.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.837 -1.172 . . . . 23.21 107.837 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.54 138.75 51.16 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 122.931 0.492 . . . . 23.35 110.037 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.89 133.25 6.8 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 110.462 -1.055 . . . . 21.29 110.462 165.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.3 mt -115.55 128.38 72.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 107.858 -1.164 . . . . 30.35 107.858 177.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -123.69 156.58 35.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.893 0.854 . . . . 28.59 110.759 -176.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -131.4 164.7 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.097 -1.41 . . . . 36.08 108.746 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.26 139.04 47.09 Favored Pre-proline 0 C--O 1.24 0.583 0 CA-C-N 115.819 -0.628 . . . . 41.59 109.362 174.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -99.19 13.26 27.38 Favored 'Cis proline' 0 CA--C 1.518 -0.32 0 N-CA-C 114.804 1.04 . . . . 32.09 114.804 7.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 21.8 ttt -64.07 140.22 58.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.661 -1.216 . . . . 32.05 108.683 174.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 38.4 p -94.37 157.62 37.1 Favored Pre-proline 0 C--N 1.348 0.507 0 CA-C-N 115.946 -0.57 . . . . 31.17 110.215 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.89 -38.68 86.05 Favored 'Trans proline' 0 C--O 1.239 0.531 0 O-C-N 121.827 0.383 . . . . 31.33 112.558 173.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.65 -36.79 93.57 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.233 -0.984 . . . . 26.19 112.724 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.04 -44.33 80.47 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.592 -0.843 . . . . 37.76 111.578 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.88 -46.05 92.14 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.274 -0.57 . . . . 25.53 110.724 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.57 -41.77 86.43 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.987 -0.685 . . . . 30.31 110.833 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.9 ttt -61.81 -48.3 81.23 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.203 -0.599 . . . . 51.76 111.454 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.29 -40.94 80.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 118.566 -1.254 . . . . 29.93 110.631 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.55 -47.71 56.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.104 0.478 . . . . 24.12 110.622 -176.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.27 -35.29 71.32 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.967 -0.693 . . . . 43.51 111.328 -174.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -67.02 -41.33 86.81 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 119.549 -0.86 . . . . 38.87 111.22 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.46 -41.78 93.0 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.564 -1.254 . . . . 32.09 110.764 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -57.79 -41.06 93.8 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 119.898 -1.144 . . . . 25.52 112.289 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.35 -35.33 77.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.271 -0.972 . . . . 43.15 111.719 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -60.34 -44.81 95.18 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.692 -0.403 . . . . 32.86 110.342 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -39.32 93.77 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.047 -0.661 . . . . 29.24 111.289 -178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.8 -41.31 88.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-O 120.858 0.361 . . . . 31.76 110.555 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -62.52 -27.67 69.31 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.054 -0.404 . . . . 43.61 111.832 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.9 m -81.07 -1.54 44.6 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.635 0.606 . . . . 40.28 112.635 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 75.5 27.47 63.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.108 -0.568 . . . . 43.51 114.058 -170.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-N 117.91 0.855 . . . . 39.72 110.425 -175.581 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.586 ' O ' ' ND2' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 110.25 -0.278 . . . . 51.51 110.25 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -63.54 -32.14 73.51 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.8 -1.16 . . . . 37.88 110.901 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -63.12 -31.33 72.45 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.038 0.385 . . . . 31.76 112.038 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -67.09 -31.58 72.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.642 -1.223 . . . . 41.53 111.524 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -62.9 -38.67 91.88 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.338 -0.945 . . . . 40.83 110.741 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.6 t -71.12 -51.35 35.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 120.035 -0.666 . . . . 25.85 110.296 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.12 -43.86 90.6 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.228 -0.589 . . . . 40.03 111.812 -172.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -94.74 -24.73 16.99 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 113.932 1.086 . . . . 45.82 113.932 -171.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -122.64 -10.83 8.31 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 115.121 1.526 . . . . 32.85 115.121 -169.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -110.03 -38.41 5.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 118.877 0.762 . . . . 25.83 112.132 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 98.6 mmm -91.88 24.48 3.18 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.281 0.474 . . . . 33.56 112.281 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 p -87.67 167.86 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.043 0.925 . . . . 41.93 110.476 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.36 141.03 43.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.562 -0.745 . . . . 47.53 110.41 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -135.68 108.3 8.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 107.815 -1.18 . . . . 41.67 107.815 174.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.41 40.95 15.84 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.359 0.599 . . . . 46.04 111.546 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.39 79.95 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 116.006 1.162 . . . . 41.13 116.006 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -110.95 166.1 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.734 1.267 . . . . 36.97 110.535 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -145.24 141.45 28.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 52.59 109.476 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.02 149.59 9.04 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.725 0.774 . . . . 25.32 110.129 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -76.22 -36.49 58.54 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.536 -0.757 . . . . 29.31 111.223 171.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.37 163.31 37.4 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.575 -0.898 . . . . 22.99 108.575 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.07 159.62 32.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.894 . . . . 20.92 108.665 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.14 160.35 24.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.06 -0.973 . . . . 22.54 110.155 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.8 mt -124.16 119.19 56.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 106.6 -1.63 . . . . 25.45 106.6 167.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.47 143.9 42.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.323 0.649 . . . . 35.47 110.176 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.46 155.55 36.37 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 118.665 -1.731 . . . . 30.09 111.126 166.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' O ' ' HD3' ' A' ' 51' ' ' LYS . 78.3 mt-30 -66.25 2.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 116.581 -2.047 . . . . 39.65 112.399 173.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -96.46 2.49 52.59 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 113.03 0.752 . . . . 44.15 113.03 170.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.37 -12.83 68.12 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 115.527 0.971 . . . . 36.76 115.527 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.7 p -71.85 143.93 49.25 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 118.842 1.321 . . . . 40.19 109.904 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -82.06 119.05 30.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.869 -0.789 . . . . 30.59 108.869 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -90.55 -29.13 18.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.097 0.406 . . . . 30.41 112.097 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.76 151.06 12.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.405 -1.331 . . . . 26.73 107.405 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -160.54 157.7 27.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.666 -0.814 . . . . 38.34 109.883 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.1 p -79.9 169.97 17.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.853 -1.067 . . . . 24.67 110.026 169.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 1.4 m-80 -63.9 -46.07 86.5 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.213 -0.595 . . . . 46.71 111.674 -171.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.43 14.85 10.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.475 0.546 . . . . 44.89 112.475 -173.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.7 133.93 79.24 Favored Pre-proline 0 C--O 1.236 0.372 0 C-N-CA 119.405 -0.918 . . . . 29.73 109.4 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.7 163.5 35.65 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 CA-C-O 122.555 0.981 . . . . 32.47 112.502 -173.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -79.29 116.89 19.82 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.897 -1.047 . . . . 55.59 108.588 171.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.57 134.87 28.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.68 -0.859 . . . . 40.14 108.68 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -81.59 153.21 70.64 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.302 -0.408 . . . . 51.96 110.739 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -58.07 -38.77 90.31 Favored 'Trans proline' 0 C--O 1.237 0.46 0 N-CA-C 113.765 0.641 . . . . 41.86 113.765 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -70.46 -28.56 65.1 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.165 -1.014 . . . . 52.0 111.682 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.39 -45.54 83.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.462 -0.495 . . . . 38.78 110.563 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 47' ' ' ILE . 11.3 mm -62.24 -39.41 83.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 120.911 0.386 . . . . 39.4 110.636 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.45 -44.02 97.4 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.566 -0.454 . . . . 44.11 111.244 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.42 94.47 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.331 -0.937 . . . . 30.14 112.376 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -65.36 -50.41 73.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 O-C-N 122.312 -0.523 . . . . 29.93 110.879 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 34.3 mtmt -59.05 -41.08 87.04 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.113 -0.635 . . . . 43.12 111.166 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.71 -38.63 91.63 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.172 -0.611 . . . . 40.12 111.116 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.25 -30.0 69.78 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.423 -0.511 . . . . 33.3 112.037 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.58 -45.75 91.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 119.804 -0.759 . . . . 27.14 111.238 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 p -89.62 -15.22 33.22 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.966 0.728 . . . . 34.43 112.966 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.2 m -135.24 82.81 40.31 Favored Pre-proline 0 C--O 1.245 0.862 0 N-CA-C 108.944 -0.761 . . . . 37.91 108.944 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -55.9 146.99 65.07 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 120.652 0.901 . . . . 33.46 111.35 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.48 -1.74 72.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.401 -0.818 . . . . 28.96 114.977 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.1 m -70.25 -45.1 67.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.285 1.043 . . . . 32.5 111.285 179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -87.53 -29.56 21.23 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.496 0.925 . . . . 31.99 113.496 -172.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.85 -42.7 91.17 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 114.574 1.324 . . . . 33.5 114.574 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -65.23 -33.07 50.41 Favored 'Trans proline' 0 C--O 1.238 0.513 0 CA-C-N 121.234 1.476 . . . . 39.95 114.561 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.3 p -99.71 -20.3 16.34 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 112.993 0.738 . . . . 39.67 112.993 -174.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.5 166.27 42.11 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 122.782 1.212 . . . . 33.08 111.7 -167.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.1 tp -103.33 119.64 39.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.447 -0.946 . . . . 36.38 108.447 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -105.49 133.1 50.79 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.359 -0.608 . . . . 41.85 109.359 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.4 mt -134.58 107.74 7.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.581 -1.637 . . . . 37.96 106.581 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.66 36.15 77.22 Favored Glycine 0 C--O 1.238 0.371 0 C-N-CA 120.037 -1.077 . . . . 45.73 112.904 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.99 -7.7 65.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 115.816 1.086 . . . . 45.17 115.816 -178.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -88.33 130.5 35.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.879 1.34 . . . . 52.35 108.626 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -93.02 126.48 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.684 -0.234 . . . . 47.09 110.39 -175.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -114.49 143.82 44.34 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 108.077 -1.082 . . . . 36.19 108.077 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttt -87.01 133.74 33.55 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.065 -1.457 . . . . 58.2 107.065 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.8 t -72.58 133.01 32.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 119.646 -0.821 . . . . 34.67 109.333 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.49 -164.42 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.316 -0.402 . . . . 31.1 110.267 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -64.75 129.23 39.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.042 0.449 . . . . 49.18 111.869 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.74 -159.54 9.84 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.372 -0.691 . . . . 30.88 111.372 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -131.67 126.42 20.98 Favored Pre-proline 0 C--O 1.244 0.816 0 N-CA-C 107.25 -1.389 . . . . 51.53 107.25 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -58.38 131.82 45.06 Favored 'Trans proline' 0 CA--C 1.518 -0.313 0 C-N-CA 121.072 1.182 . . . . 28.41 112.468 -171.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.94 28.92 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.963 -1.017 . . . . 29.69 112.48 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.56 -53.78 0.28 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.076 -0.649 . . . . 25.02 111.965 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.77 131.72 43.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 122.049 -0.407 . . . . 26.67 110.335 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.1 mt -112.44 134.81 53.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.975 -1.491 . . . . 28.05 106.975 170.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -128.42 139.13 52.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.577 -0.527 . . . . 34.73 109.577 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.43 157.58 22.59 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.093 -1.203 . . . . 25.68 110.093 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -129.79 141.5 50.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.251 -0.648 . . . . 38.06 109.251 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -138.95 89.91 2.4 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 105.312 -2.107 . . . . 45.13 105.312 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.74 -131.25 43.44 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.588 -1.768 . . . . 30.79 110.557 -173.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.26 5.8 36.47 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.991 -0.711 . . . . 33.76 112.408 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.35 178.49 20.6 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-O 122.254 0.919 . . . . 26.04 110.859 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.43 -169.54 39.99 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 117.98 -2.057 . . . . 22.49 112.008 -177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.57 145.47 17.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 108.446 -0.946 . . . . 24.5 108.446 -174.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.22 134.35 50.12 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 107.574 -1.269 . . . . 24.22 107.574 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.97 121.79 61.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 107.773 -1.195 . . . . 24.49 107.773 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -114.49 128.82 56.53 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 109.728 -0.471 . . . . 30.02 109.728 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -89.55 129.83 35.96 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.74 -0.837 . . . . 28.28 108.74 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 p -110.35 -169.16 1.41 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.6 -0.889 . . . . 29.56 108.6 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -63.26 -42.95 99.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.922 -0.711 . . . . 37.89 111.23 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.1 mt -116.3 -14.79 11.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 114.099 1.148 . . . . 36.81 114.099 -174.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -140.31 175.5 9.54 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.026 0.83 . . . . 27.25 110.173 -161.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.9 mt -128.55 127.3 42.09 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 106.247 -1.76 . . . . 31.07 106.247 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.79 126.6 59.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.837 -1.172 . . . . 23.21 107.837 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.54 138.75 51.16 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 122.931 0.492 . . . . 23.35 110.037 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.89 133.25 6.8 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 110.462 -1.055 . . . . 21.29 110.462 165.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.3 mt -115.55 128.38 72.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 107.858 -1.164 . . . . 30.35 107.858 177.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -123.69 156.58 35.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.893 0.854 . . . . 28.59 110.759 -176.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -131.4 164.7 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.097 -1.41 . . . . 36.08 108.746 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.26 139.04 47.09 Favored Pre-proline 0 C--O 1.24 0.583 0 CA-C-N 115.819 -0.628 . . . . 41.59 109.362 174.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -99.19 13.26 27.38 Favored 'Cis proline' 0 CA--C 1.518 -0.32 0 N-CA-C 114.804 1.04 . . . . 32.09 114.804 7.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 21.8 ttt -64.07 140.22 58.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.661 -1.216 . . . . 32.05 108.683 174.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 38.4 p -94.37 157.62 37.1 Favored Pre-proline 0 C--N 1.348 0.507 0 CA-C-N 115.946 -0.57 . . . . 31.17 110.215 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.89 -38.68 86.05 Favored 'Trans proline' 0 C--O 1.239 0.531 0 O-C-N 121.827 0.383 . . . . 31.33 112.558 173.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.65 -36.79 93.57 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.233 -0.984 . . . . 26.19 112.724 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.04 -44.33 80.47 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.592 -0.843 . . . . 37.76 111.578 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.88 -46.05 92.14 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.274 -0.57 . . . . 25.53 110.724 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.57 -41.77 86.43 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.987 -0.685 . . . . 30.31 110.833 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.9 ttt -61.81 -48.3 81.23 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.203 -0.599 . . . . 51.76 111.454 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.29 -40.94 80.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 118.566 -1.254 . . . . 29.93 110.631 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.55 -47.71 56.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.104 0.478 . . . . 24.12 110.622 -176.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.27 -35.29 71.32 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.967 -0.693 . . . . 43.51 111.328 -174.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -67.02 -41.33 86.81 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 119.549 -0.86 . . . . 38.87 111.22 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.46 -41.78 93.0 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.564 -1.254 . . . . 32.09 110.764 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -57.79 -41.06 93.8 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 119.898 -1.144 . . . . 25.52 112.289 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.35 -35.33 77.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 119.271 -0.972 . . . . 43.15 111.719 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -60.34 -44.81 95.18 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.692 -0.403 . . . . 32.86 110.342 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -39.32 93.77 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.047 -0.661 . . . . 29.24 111.289 -178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.8 -41.31 88.08 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-O 120.858 0.361 . . . . 31.76 110.555 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -62.52 -27.67 69.31 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.054 -0.404 . . . . 43.61 111.832 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.9 m -81.07 -1.54 44.6 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.635 0.606 . . . . 40.28 112.635 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 75.5 27.47 63.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.108 -0.568 . . . . 43.51 114.058 -170.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-N 117.91 0.855 . . . . 39.72 110.425 -175.581 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.586 ' O ' ' ND2' ' A' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_