data_6e50_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 6e50 _Structure_validation_residue.Date_analyzed 2019-10-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.941 0.719 . . . . 58.14 112.941 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -87.4 1.14 54.23 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 124.145 0.978 . . . . 46.45 112.59 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -87.06 107.18 18.32 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 106.596 -1.631 . . . . 40.37 106.596 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.63 7.43 34.97 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.765 0.654 . . . . 38.66 112.765 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -49.45 145.16 4.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.152 0.501 . . . . 37.92 112.349 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.17 174.58 14.88 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 115.156 0.822 . . . . 38.41 115.156 170.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -98.07 123.28 42.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.212 -1.033 . . . . 36.45 108.212 165.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -120.18 129.82 54.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.559 0.744 . . . . 40.99 109.936 -173.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.51 118.99 34.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.025 -1.102 . . . . 67.19 108.025 -170.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 ttm -61.96 128.33 35.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 123.416 0.447 . . . . 39.31 110.216 -173.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -104.3 -28.88 11.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.452 -0.795 . . . . 60.34 112.589 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -150.1 159.47 44.38 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.897 0.856 . . . . 36.48 110.431 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -153.23 100.11 2.43 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.032 -1.84 . . . . 35.96 106.032 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.05 131.49 51.26 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.009 0.193 . . . . 52.88 111.427 -175.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.4 35.47 25.96 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.194 0.813 . . . . 33.15 113.194 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.61 -33.72 73.16 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.944 -0.473 . . . . 36.51 111.5 163.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -58.01 -48.16 80.88 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 121.885 -0.51 . . . . 50.75 111.173 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -38.34 85.34 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 119.817 -1.183 . . . . 30.94 112.932 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.95 -49.98 73.97 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 122.111 -0.641 . . . . 30.35 110.306 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.35 -40.74 91.79 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 119.922 -0.711 . . . . 31.81 111.961 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -62.57 -40.11 95.82 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.742 -0.599 . . . . 58.58 111.472 177.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.25 66.9 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 119.751 -0.78 . . . . 37.42 112.022 174.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.03 3.84 53.67 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.718 0.636 . . . . 27.76 112.718 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 65.7 25.27 11.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.123 0.969 . . . . 41.76 111.756 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -62.81 135.31 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 109.258 -0.645 . . . . 39.07 109.258 168.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.05 160.39 29.85 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.925 0.869 . . . . 67.41 111.001 -169.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 28' ' ' ALA . 1.1 p90 -50.53 -50.91 52.0 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.489 -1.232 . . . . 92.15 112.22 -172.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' N ' ' CD1' ' A' ' 27' ' ' PHE . . . -73.67 -26.92 60.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.569 -0.852 . . . . 54.81 111.69 -168.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.2 m -68.67 -44.86 73.19 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.766 -0.774 . . . . 46.42 110.473 171.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -59.39 -39.56 83.77 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.301 -0.56 . . . . 42.9 111.66 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -61.99 -33.05 73.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.865 -0.334 . . . . 63.62 111.87 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -83.0 -46.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 122.072 -0.393 . . . . 42.51 111.008 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.49 69.96 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.443 0.535 . . . . 35.19 112.443 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.17 -10.29 13.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 112.863 0.69 . . . . 36.71 112.863 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -96.47 2.43 52.49 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.573 -0.704 . . . . 84.69 112.862 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.3 155.97 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.712 0.768 . . . . 45.01 109.633 -173.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 m -119.29 142.54 48.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.18 -1.415 . . . . 54.25 107.18 166.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.43 142.46 43.66 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.846 0.458 . . . . 45.11 110.178 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -117.74 131.32 56.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.127 -1.805 . . . . 40.52 106.127 171.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.7 tp -120.39 119.86 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.512 -1.292 . . . . 46.13 107.512 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -108.43 116.8 52.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.863 -1.162 . . . . 42.77 107.863 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.7 mt -110.82 122.25 64.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.961 -1.125 . . . . 35.38 107.961 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.55 108.77 17.98 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 104.493 -2.41 . . . . 75.17 104.493 173.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -122.31 130.1 52.82 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.043 -1.095 . . . . 41.1 108.043 -172.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -130.15 102.68 6.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 106.935 -1.505 . . . . 72.74 106.935 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.87 5.09 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.135 -0.786 . . . . 46.54 111.135 -172.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -107.59 11.14 28.9 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.801 0.667 . . . . 47.84 112.801 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -94.52 120.51 34.87 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.386 -0.598 . . . . 51.07 109.386 172.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -112.84 141.64 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 35.05 110.759 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -125.28 124.06 40.82 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.383 -1.71 . . . . 68.11 106.383 163.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -108.96 126.22 52.86 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 123.813 0.845 . . . . 64.75 108.867 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.06 128.95 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.626 -0.509 . . . . 75.68 109.626 174.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -130.52 127.3 38.85 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.789 -0.642 . . . . 55.1 109.677 -167.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -122.61 131.54 53.87 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.087 -0.709 . . . . 52.89 109.087 173.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -100.01 138.32 37.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.794 -0.447 . . . . 47.93 109.794 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -133.33 147.71 51.86 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.635 0.774 . . . . 35.6 110.237 -171.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -130.16 123.11 29.52 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.533 0.733 . . . . 61.83 109.071 170.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -80.12 128.35 33.4 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.29 -0.633 . . . . 95.01 109.29 170.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.34 175.53 6.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.985 0.898 . . . . 71.67 110.274 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.04 135.32 43.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.551 -0.749 . . . . 103.74 109.693 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.61 155.04 5.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.507 0.67 . . . . 86.47 110.568 173.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 t -132.22 120.28 42.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.855 -1.535 . . . . 54.12 106.855 167.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -120.63 135.43 55.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.395 -1.335 . . . . 60.95 107.395 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.79 167.99 28.79 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.864 0.84 . . . . 42.51 109.73 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.0 m -123.53 133.44 54.0 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.855 -1.066 . . . . 39.24 108.179 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -55.14 130.45 17.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.714 -0.794 . . . . 35.82 109.314 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.54 -8.43 76.99 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 115.343 0.897 . . . . 39.55 115.343 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.8 107.2 22.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.39 -1.337 . . . . 42.12 107.39 -176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.82 140.07 56.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.601 -0.44 . . . . 51.36 110.389 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -142.25 152.09 42.71 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.888 0.851 . . . . 44.1 111.825 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -80.32 135.77 36.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.701 -1.136 . . . . 41.93 110.445 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -136.01 124.52 23.56 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.778 -1.193 . . . . 65.92 107.778 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -101.79 121.04 41.33 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.614 -1.624 . . . . 49.4 106.614 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.6 p -88.18 61.24 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.723 0.773 . . . . 43.71 110.43 -168.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.97 -26.25 68.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.927 -1.033 . . . . 87.62 112.641 -171.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.9 p -75.36 -2.8 30.11 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.836 -0.746 . . . . 58.96 112.832 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -133.59 -106.14 0.24 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.093 -0.706 . . . . 47.28 109.093 -167.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -98.79 -3.67 35.06 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 113.251 0.834 . . . . 37.17 113.251 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 57.08 49.64 13.34 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.63 0.728 . . . . 67.87 111.273 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -110.98 158.58 18.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.655 0.741 . . . . 40.77 109.608 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -92.51 128.06 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.818 -1.083 . . . . 45.61 108.613 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.7 m -132.48 159.06 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 108.862 -0.792 . . . . 34.81 108.862 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -105.41 110.4 22.74 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.099 -1.445 . . . . 49.25 107.099 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.31 135.3 40.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.552 . . . . 35.61 110.284 -172.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -125.95 121.47 33.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 107.136 -1.431 . . . . 41.24 107.136 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.59 123.43 65.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.632 -1.247 . . . . 37.96 107.632 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.1 p -129.22 158.15 39.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.136 0.575 . . . . 37.92 109.738 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.09 136.21 33.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 35.93 111.482 169.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -120.83 93.94 4.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 104.852 -2.277 . . . . 58.19 104.852 164.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.09 -127.68 27.61 Favored Glycine 0 C--O 1.238 0.386 0 N-CA-C 108.741 -1.744 . . . . 31.98 108.741 -169.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.83 9.05 40.6 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.908 0.707 . . . . 58.34 112.908 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.3 t -96.48 124.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.08 -1.081 . . . . 28.19 108.08 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.6 tp -89.05 117.92 28.4 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.676 -1.231 . . . . 33.63 107.676 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -115.88 128.46 73.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.758 -0.83 . . . . 36.01 108.758 -168.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.2 t -125.31 128.54 48.38 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.449 0.468 . . . . 36.33 110.513 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.58 128.23 62.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.622 -1.251 . . . . 32.48 107.622 170.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -107.73 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.141 -1.429 . . . . 37.11 107.141 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -70.57 132.92 46.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 57.87 110.715 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.59 -151.25 14.81 Favored Glycine 0 C--N 1.33 0.245 0 N-CA-C 110.785 -0.926 . . . . 31.11 110.785 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -64.07 -37.38 87.23 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.948 -0.701 . . . . 56.62 111.489 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.2 131.4 35.11 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.285 0.564 . . . . 40.26 111.2 -174.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -75.84 144.18 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.614 -0.721 . . . . 76.73 110.159 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.3 t30 55.65 45.35 24.88 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.422 0.63 . . . . 57.31 111.494 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -102.81 128.13 49.7 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.32 -0.622 . . . . 37.03 109.32 -176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.39 -162.1 35.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.468 -0.872 . . . . 29.57 111.345 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 41.0 p-90 -161.56 159.88 28.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.611 0.719 . . . . 31.54 109.351 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -132.02 141.1 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.689 -1.141 . . . . 57.91 107.982 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -134.76 129.25 34.35 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.772 -1.195 . . . . 59.54 107.772 -173.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -155.29 157.74 37.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 117.973 -1.491 . . . . 34.0 109.353 174.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.49 144.18 10.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 124.54 1.136 . . . . 54.98 109.562 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -144.0 118.89 9.94 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.188 -1.412 . . . . 66.69 107.188 164.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.84 -125.03 32.02 Favored Glycine 0 C--O 1.24 0.471 0 N-CA-C 109.237 -1.545 . . . . 46.44 109.237 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 131' ' ' LYS . 15.3 p-10 -104.98 15.44 27.7 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 122.079 -0.659 . . . . 52.46 112.163 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -114.11 142.72 45.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.178 0.513 . . . . 60.66 110.6 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.2 tp -107.07 124.6 49.89 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.75 -1.204 . . . . 32.57 107.75 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -104.13 133.72 48.58 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.113 0.965 . . . . 41.37 108.758 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.9 tp -130.62 126.59 37.02 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.685 -1.228 . . . . 32.68 107.685 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 301' ' ' HOH . 19.1 mt-10 -116.59 115.23 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.907 -1.146 . . . . 52.33 107.907 175.819 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.25 140.23 29.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.885 -0.413 . . . . 31.32 109.885 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 43.2 p -131.9 140.88 49.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.113 0.482 . . . . 36.92 109.904 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.5 t -155.37 123.17 5.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.742 -1.577 . . . . 32.55 106.742 169.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.25 -134.22 48.44 Favored Glycine 0 C--O 1.237 0.3 0 C-N-CA 119.392 -1.385 . . . . 44.38 110.263 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -89.9 9.95 25.7 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.941 0.719 . . . . 57.3 112.941 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -102.45 135.6 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.214 0.461 . . . . 41.43 110.643 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -123.53 133.02 70.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.017 -1.105 . . . . 37.01 108.017 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -118.75 126.57 52.18 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.66 -0.867 . . . . 30.63 108.66 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -110.14 119.3 38.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 63.77 108.976 -172.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -118.52 141.23 48.77 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.456 -0.942 . . . . 38.11 108.456 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.3 t -126.3 133.26 69.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.757 -1.201 . . . . 32.91 107.757 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.77 144.03 49.04 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.457 0.703 . . . . 35.38 109.48 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 14.3 tptp -100.42 138.46 37.45 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.483 1.113 . . . . 70.47 108.591 173.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -73.21 136.31 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.008 -0.677 . . . . 41.84 110.194 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 68.09 110.346 176.4 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.415 ' O ' ' OE2' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . 0.629 HG22 ' H ' ' A' ' 3' ' ' ASP . 50.1 m . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.941 0.719 . . . . 58.14 112.941 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -87.4 1.14 54.23 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 124.145 0.978 . . . . 46.45 112.59 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . 0.629 ' H ' HG22 ' A' ' 1' ' ' THR . 68.3 t0 -87.06 107.18 18.32 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 106.596 -1.631 . . . . 40.37 106.596 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.63 7.43 34.97 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.765 0.654 . . . . 38.66 112.765 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -49.45 145.16 4.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.152 0.501 . . . . 37.92 112.349 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.17 174.58 14.88 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 115.156 0.822 . . . . 38.41 115.156 170.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -98.07 123.28 42.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.212 -1.033 . . . . 36.45 108.212 165.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -120.18 129.82 54.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.559 0.744 . . . . 40.99 109.936 -173.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.51 118.99 34.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.025 -1.102 . . . . 67.19 108.025 -170.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 ttm -61.96 128.33 35.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 123.416 0.447 . . . . 39.31 110.216 -173.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -104.3 -28.88 11.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.452 -0.795 . . . . 60.34 112.589 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -150.1 159.47 44.38 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.897 0.856 . . . . 36.48 110.431 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -153.23 100.11 2.43 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.032 -1.84 . . . . 35.96 106.032 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.05 131.49 51.26 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.009 0.193 . . . . 52.88 111.427 -175.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.4 35.47 25.96 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.194 0.813 . . . . 33.15 113.194 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.61 -33.72 73.16 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.944 -0.473 . . . . 36.51 111.5 163.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -58.01 -48.16 80.88 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 121.885 -0.51 . . . . 50.75 111.173 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -38.34 85.34 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 119.817 -1.183 . . . . 30.94 112.932 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.95 -49.98 73.97 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 122.111 -0.641 . . . . 30.35 110.306 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.35 -40.74 91.79 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 119.922 -0.711 . . . . 31.81 111.961 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -62.57 -40.11 95.82 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.742 -0.599 . . . . 58.58 111.472 177.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.25 66.9 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 119.751 -0.78 . . . . 37.42 112.022 174.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.03 3.84 53.67 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.718 0.636 . . . . 27.76 112.718 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 65.7 25.27 11.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.123 0.969 . . . . 41.76 111.756 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -62.81 135.31 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 109.258 -0.645 . . . . 39.07 109.258 168.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.05 160.39 29.85 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.925 0.869 . . . . 67.41 111.001 -169.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 28' ' ' ALA . 1.1 p90 -50.53 -50.91 52.0 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.489 -1.232 . . . . 92.15 112.22 -172.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.56 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -73.67 -26.92 60.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.569 -0.852 . . . . 54.81 111.69 -168.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.2 m -68.67 -44.86 73.19 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.766 -0.774 . . . . 46.42 110.473 171.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -59.39 -39.56 83.77 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.301 -0.56 . . . . 42.9 111.66 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 10.2 ptmm? -61.99 -33.05 73.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.865 -0.334 . . . . 63.62 111.87 -179.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -83.0 -46.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 122.072 -0.393 . . . . 42.51 111.008 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.49 69.96 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.443 0.535 . . . . 35.19 112.443 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.17 -10.29 13.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 112.863 0.69 . . . . 36.71 112.863 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -96.47 2.43 52.49 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.573 -0.704 . . . . 84.69 112.862 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.3 155.97 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.712 0.768 . . . . 45.01 109.633 -173.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 m -119.29 142.54 48.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.18 -1.415 . . . . 54.25 107.18 166.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.43 142.46 43.66 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.846 0.458 . . . . 45.54 110.178 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -117.74 131.32 56.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.127 -1.805 . . . . 40.52 106.127 171.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.7 tp -120.39 119.86 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.512 -1.292 . . . . 46.13 107.512 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -108.43 116.8 52.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.863 -1.162 . . . . 42.77 107.863 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.7 mt -110.82 122.25 64.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.961 -1.125 . . . . 35.38 107.961 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.55 108.77 17.98 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 104.493 -2.41 . . . . 75.17 104.493 173.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -122.31 130.1 52.82 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.043 -1.095 . . . . 41.1 108.043 -172.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -130.15 102.68 6.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 106.935 -1.505 . . . . 72.74 106.935 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.87 5.09 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.135 -0.786 . . . . 46.54 111.135 -172.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -107.59 11.14 28.9 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.801 0.667 . . . . 47.84 112.801 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -94.52 120.51 34.87 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.386 -0.598 . . . . 51.07 109.386 172.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -112.84 141.64 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 35.05 110.759 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -125.28 124.06 40.82 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.383 -1.71 . . . . 68.11 106.383 163.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -108.96 126.22 52.86 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 123.813 0.845 . . . . 64.75 108.867 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.06 128.95 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.626 -0.509 . . . . 75.68 109.626 174.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -130.52 127.3 38.85 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.789 -0.642 . . . . 55.1 109.677 -167.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -122.61 131.54 53.87 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.087 -0.709 . . . . 52.89 109.087 173.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -100.01 138.32 37.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.794 -0.447 . . . . 47.93 109.794 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -133.33 147.71 51.86 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.635 0.774 . . . . 35.6 110.237 -171.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -130.16 123.11 29.52 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.533 0.733 . . . . 61.83 109.071 170.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -80.12 128.35 33.4 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.29 -0.633 . . . . 95.01 109.29 170.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.34 175.53 6.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.985 0.898 . . . . 71.67 110.274 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.04 135.32 43.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.551 -0.749 . . . . 103.74 109.693 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.61 155.04 5.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.507 0.67 . . . . 86.47 110.568 173.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 t -132.22 120.28 42.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.855 -1.535 . . . . 54.12 106.855 167.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -120.63 135.43 55.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.395 -1.335 . . . . 60.95 107.395 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.79 167.99 28.79 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.864 0.84 . . . . 42.51 109.73 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.0 m -123.53 133.44 54.0 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.855 -1.066 . . . . 39.24 108.179 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -55.14 130.45 17.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.714 -0.794 . . . . 35.82 109.314 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.54 -8.43 76.99 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 115.343 0.897 . . . . 39.55 115.343 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.8 107.2 22.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.39 -1.337 . . . . 42.12 107.39 -176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' O ' ' H1 ' ' A' ' 201' ' ' ACT . 25.3 tt0 -59.82 140.07 56.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.601 -0.44 . . . . 51.36 110.389 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -142.25 152.09 42.71 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.888 0.851 . . . . 44.1 111.825 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -80.32 135.77 36.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.701 -1.136 . . . . 41.93 110.445 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -136.01 124.52 23.56 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.778 -1.193 . . . . 65.92 107.778 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 81.8 m-85 -101.79 121.04 41.33 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.614 -1.624 . . . . 49.4 106.614 168.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.6 p -88.18 61.24 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.723 0.773 . . . . 43.71 110.43 -168.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.97 -26.25 68.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.927 -1.033 . . . . 87.62 112.641 -171.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.9 p -75.36 -2.8 30.11 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.836 -0.746 . . . . 58.96 112.832 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 77' ' ' LEU . 1.9 tp -133.59 -106.14 0.24 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.093 -0.706 . . . . 47.28 109.093 -167.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -98.79 -3.67 35.06 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 113.251 0.834 . . . . 37.17 113.251 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 57.08 49.64 13.34 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.63 0.728 . . . . 67.87 111.273 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -110.98 158.58 18.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.655 0.741 . . . . 40.77 109.608 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.5 t-80 -92.51 128.06 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.818 -1.083 . . . . 45.61 108.613 176.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.7 m -132.48 159.06 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 108.862 -0.792 . . . . 34.81 108.862 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -105.41 110.4 22.74 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.099 -1.445 . . . . 49.25 107.099 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.31 135.3 40.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.552 . . . . 35.61 110.284 -172.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -125.95 121.47 33.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 107.136 -1.431 . . . . 41.24 107.136 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.59 123.43 65.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.632 -1.247 . . . . 37.96 107.632 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.1 p -129.22 158.15 39.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.136 0.575 . . . . 37.92 109.738 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.09 136.21 33.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 35.93 111.482 169.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -120.83 93.94 4.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 104.852 -2.277 . . . . 58.19 104.852 164.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.09 -127.68 27.61 Favored Glycine 0 C--O 1.238 0.386 0 N-CA-C 108.741 -1.744 . . . . 31.98 108.741 -169.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.83 9.05 40.6 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.908 0.707 . . . . 58.34 112.908 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.3 t -96.48 124.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.08 -1.081 . . . . 28.19 108.08 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.6 tp -89.05 117.92 28.4 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.676 -1.231 . . . . 33.63 107.676 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -115.88 128.46 73.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.758 -0.83 . . . . 36.01 108.758 -168.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.2 t -125.31 128.54 48.38 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.449 0.468 . . . . 36.33 110.513 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.58 128.23 62.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.622 -1.251 . . . . 32.48 107.622 170.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -107.73 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.141 -1.429 . . . . 37.11 107.141 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -70.57 132.92 46.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 57.87 110.715 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.59 -151.25 14.81 Favored Glycine 0 C--N 1.33 0.245 0 N-CA-C 110.785 -0.926 . . . . 31.11 110.785 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -64.07 -37.38 87.23 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.948 -0.701 . . . . 56.62 111.489 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.2 131.4 35.11 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.285 0.564 . . . . 40.26 111.2 -174.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -75.84 144.18 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.614 -0.721 . . . . 76.73 110.159 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.3 t30 55.65 45.35 24.88 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.422 0.63 . . . . 57.31 111.494 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -102.81 128.13 49.7 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.32 -0.622 . . . . 37.03 109.32 -176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.39 -162.1 35.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.468 -0.872 . . . . 29.57 111.345 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . 0.481 ' HB3' HD23 ' A' ' 119' ' ' LEU . 41.0 p-90 -161.56 159.88 28.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.611 0.719 . . . . 31.54 109.351 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -132.02 141.1 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.689 -1.141 . . . . 57.91 107.982 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . 0.619 ' HG2' HD11 ' A' ' 115' ' ' LEU . 12.0 ttmt -134.76 129.25 34.35 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.772 -1.195 . . . . 59.54 107.772 -173.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -155.29 157.74 37.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 117.973 -1.491 . . . . 34.0 109.353 174.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . 0.405 HD13 HD13 ' A' ' 115' ' ' LEU . 4.9 mm -95.49 144.18 10.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 124.54 1.136 . . . . 54.98 109.562 176.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -144.0 118.89 9.94 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.188 -1.412 . . . . 66.69 107.188 164.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.84 -125.03 32.02 Favored Glycine 0 C--O 1.24 0.471 0 N-CA-C 109.237 -1.545 . . . . 46.44 109.237 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -104.98 15.44 27.7 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 122.079 -0.659 . . . . 52.46 112.163 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . 0.552 ' HE3' ' HD3' ' A' ' 131' ' ' LYS . 10.1 mttp -114.11 142.72 45.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.178 0.513 . . . . 60.66 110.6 -179.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . 0.619 HD11 ' HG2' ' A' ' 108' ' ' LYS . 20.2 tp -107.07 124.6 49.89 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.75 -1.204 . . . . 34.7 107.75 174.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -104.13 133.72 48.58 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.113 0.965 . . . . 41.37 108.758 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD13 ' HE3' ' A' ' 108' ' ' LYS . 13.9 tp -130.62 126.59 37.02 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.685 -1.228 . . . . 32.68 107.685 176.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 301' ' ' HOH . 19.1 mt-10 -116.59 115.23 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.907 -1.146 . . . . 52.33 107.907 175.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 106' ' ' TRP . 6.9 mt -93.25 140.23 29.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.885 -0.413 . . . . 31.32 109.885 172.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 43.2 p -131.9 140.88 49.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.113 0.482 . . . . 36.92 109.904 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.5 t -155.37 123.17 5.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.742 -1.577 . . . . 32.55 106.742 169.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.25 -134.22 48.44 Favored Glycine 0 C--O 1.237 0.3 0 C-N-CA 119.392 -1.385 . . . . 44.38 110.263 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -89.9 9.95 25.7 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.941 0.719 . . . . 57.3 112.941 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -102.45 135.6 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.214 0.461 . . . . 41.43 110.643 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -123.53 133.02 70.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.017 -1.105 . . . . 37.01 108.017 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -118.75 126.57 52.18 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.66 -0.867 . . . . 30.63 108.66 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -110.14 119.3 38.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 63.77 108.976 -172.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -118.52 141.23 48.77 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.456 -0.942 . . . . 38.11 108.456 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.3 t -126.3 133.26 69.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.757 -1.201 . . . . 32.91 107.757 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.77 144.03 49.04 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.457 0.703 . . . . 35.38 109.48 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . 0.552 ' HD3' ' HE3' ' A' ' 114' ' ' LYS . 14.3 tptp -100.42 138.46 37.45 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.483 1.113 . . . . 70.47 108.591 173.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -73.21 136.31 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.008 -0.677 . . . . 41.84 110.194 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 68.09 110.346 176.4 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ACT . . . . . 0.415 ' H1 ' ' O ' ' A' ' 69' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.415 ' O ' ' OE2' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . 0.629 HG22 ' H ' ' A' ' 3' ' ' ASP . 50.1 m . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.941 0.719 . . . . 58.14 112.941 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -87.4 1.14 54.23 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 124.145 0.978 . . . . 46.45 112.59 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.629 ' H ' HG22 ' A' ' 1' ' ' THR . 68.3 t0 -87.06 107.18 18.32 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 106.596 -1.631 . . . . 40.37 106.596 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -104.63 7.43 34.97 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.765 0.654 . . . . 38.66 112.765 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -49.45 145.16 4.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.152 0.501 . . . . 37.92 112.349 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.17 174.58 14.88 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 115.156 0.822 . . . . 38.41 115.156 170.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -98.07 123.28 42.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.212 -1.033 . . . . 36.45 108.212 165.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -120.18 129.82 54.29 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.559 0.744 . . . . 40.99 109.936 -173.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.51 118.99 34.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.025 -1.102 . . . . 67.19 108.025 -170.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 ttm -61.96 128.33 35.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 123.416 0.447 . . . . 39.31 110.216 -173.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -104.3 -28.88 11.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.452 -0.795 . . . . 60.34 112.589 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -150.1 159.47 44.38 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.897 0.856 . . . . 36.48 110.431 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -153.23 100.11 2.43 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.032 -1.84 . . . . 35.96 106.032 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.05 131.49 51.26 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.009 0.193 . . . . 52.88 111.427 -175.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.4 35.47 25.96 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.194 0.813 . . . . 33.15 113.194 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.61 -33.72 73.16 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.944 -0.473 . . . . 36.51 111.5 163.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -58.01 -48.16 80.88 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 121.885 -0.51 . . . . 50.75 111.173 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -38.34 85.34 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 119.817 -1.183 . . . . 30.94 112.932 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -61.95 -49.98 73.97 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 122.111 -0.641 . . . . 30.35 110.306 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.35 -40.74 91.79 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 119.922 -0.711 . . . . 31.81 111.961 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -62.57 -40.11 95.82 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.742 -0.599 . . . . 58.58 111.472 177.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.25 66.9 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 119.751 -0.78 . . . . 37.42 112.022 174.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.03 3.84 53.67 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.718 0.636 . . . . 27.76 112.718 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 65.7 25.27 11.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.123 0.969 . . . . 41.76 111.756 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -62.81 135.31 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 109.258 -0.645 . . . . 39.07 109.258 168.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.05 160.39 29.85 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.925 0.869 . . . . 67.41 111.001 -169.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 28' ' ' ALA . 1.1 p90 -50.53 -50.91 52.0 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.489 -1.232 . . . . 92.15 112.22 -172.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.56 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -73.67 -26.92 60.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.569 -0.852 . . . . 54.81 111.69 -168.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.2 m -68.67 -44.86 73.19 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.766 -0.774 . . . . 46.42 110.473 171.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -59.39 -39.56 83.77 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.301 -0.56 . . . . 42.9 111.66 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 10.2 ptmm? -61.99 -33.05 73.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.865 -0.334 . . . . 63.62 111.87 -179.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -83.0 -46.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 122.072 -0.393 . . . . 42.51 111.008 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.49 69.96 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.443 0.535 . . . . 35.19 112.443 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.17 -10.29 13.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 112.863 0.69 . . . . 36.71 112.863 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -96.47 2.43 52.49 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.573 -0.704 . . . . 84.69 112.862 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.3 155.97 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.712 0.768 . . . . 45.01 109.633 -173.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 m -119.29 142.54 48.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.18 -1.415 . . . . 54.25 107.18 166.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.43 142.46 43.66 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.846 0.458 . . . . 45.54 110.178 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.4 m -117.74 131.32 56.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.127 -1.805 . . . . 40.52 106.127 171.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.7 tp -120.39 119.86 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.512 -1.292 . . . . 46.13 107.512 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 t -108.43 116.8 52.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.863 -1.162 . . . . 42.77 107.863 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.7 mt -110.82 122.25 64.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.961 -1.125 . . . . 35.38 107.961 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.55 108.77 17.98 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 104.493 -2.41 . . . . 75.17 104.493 173.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -122.31 130.1 52.82 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.043 -1.095 . . . . 41.1 108.043 -172.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -130.15 102.68 6.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 106.935 -1.505 . . . . 72.74 106.935 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.87 5.09 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.135 -0.786 . . . . 46.54 111.135 -172.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -107.59 11.14 28.9 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.801 0.667 . . . . 47.84 112.801 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -94.52 120.51 34.87 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.386 -0.598 . . . . 51.07 109.386 172.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -112.84 141.64 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 35.05 110.759 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -125.28 124.06 40.82 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.383 -1.71 . . . . 68.11 106.383 163.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -108.96 126.22 52.86 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 123.813 0.845 . . . . 64.75 108.867 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.06 128.95 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.626 -0.509 . . . . 75.68 109.626 174.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -130.52 127.3 38.85 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.789 -0.642 . . . . 55.1 109.677 -167.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -122.61 131.54 53.87 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.087 -0.709 . . . . 52.89 109.087 173.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -100.01 138.32 37.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.794 -0.447 . . . . 47.93 109.794 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -133.33 147.71 51.86 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.635 0.774 . . . . 35.6 110.237 -171.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -130.16 123.11 29.52 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.533 0.733 . . . . 61.83 109.071 170.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -80.12 128.35 33.4 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.29 -0.633 . . . . 95.01 109.29 170.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.34 175.53 6.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.985 0.898 . . . . 71.67 110.274 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.04 135.32 43.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.551 -0.749 . . . . 103.74 109.693 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.61 155.04 5.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.507 0.67 . . . . 86.47 110.568 173.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 t -132.22 120.28 42.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.855 -1.535 . . . . 54.12 106.855 167.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -120.63 135.43 55.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.395 -1.335 . . . . 60.95 107.395 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -156.79 167.99 28.79 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.864 0.84 . . . . 42.51 109.73 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.0 m -123.53 133.44 54.0 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.855 -1.066 . . . . 39.24 108.179 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -55.14 130.45 17.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.714 -0.794 . . . . 35.82 109.314 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.54 -8.43 76.99 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 115.343 0.897 . . . . 39.55 115.343 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.8 107.2 22.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.39 -1.337 . . . . 42.12 107.39 -176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' O ' ' H1 ' ' A' ' 201' ' ' ACT . 25.3 tt0 -59.82 140.07 56.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 120.601 -0.44 . . . . 51.36 110.389 179.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -142.25 152.09 42.71 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.888 0.851 . . . . 44.1 111.825 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -80.32 135.77 36.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.701 -1.136 . . . . 41.93 110.445 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -136.01 124.52 23.56 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.778 -1.193 . . . . 65.92 107.778 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 81.8 m-85 -101.79 121.04 41.33 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.614 -1.624 . . . . 49.4 106.614 168.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.6 p -88.18 61.24 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.723 0.773 . . . . 43.71 110.43 -168.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.97 -26.25 68.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.927 -1.033 . . . . 87.62 112.641 -171.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.9 p -75.36 -2.8 30.11 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.836 -0.746 . . . . 58.96 112.832 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 77' ' ' LEU . 1.9 tp -133.59 -106.14 0.24 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.093 -0.706 . . . . 47.28 109.093 -167.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -98.79 -3.67 35.06 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 113.251 0.834 . . . . 37.17 113.251 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 57.08 49.64 13.34 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.63 0.728 . . . . 67.87 111.273 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -110.98 158.58 18.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.655 0.741 . . . . 40.77 109.608 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.5 t-80 -92.51 128.06 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.818 -1.083 . . . . 45.61 108.613 176.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.7 m -132.48 159.06 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 108.862 -0.792 . . . . 34.81 108.862 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -105.41 110.4 22.74 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.099 -1.445 . . . . 49.25 107.099 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.31 135.3 40.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.552 . . . . 35.61 110.284 -172.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -125.95 121.47 33.19 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 107.136 -1.431 . . . . 41.24 107.136 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.59 123.43 65.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.632 -1.247 . . . . 37.96 107.632 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.1 p -129.22 158.15 39.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.136 0.575 . . . . 37.92 109.738 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.09 136.21 33.31 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.086 -0.506 . . . . 35.93 111.482 169.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -120.83 93.94 4.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 104.852 -2.277 . . . . 58.19 104.852 164.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.09 -127.68 27.61 Favored Glycine 0 C--O 1.238 0.386 0 N-CA-C 108.741 -1.744 . . . . 31.98 108.741 -169.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.83 9.05 40.6 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.908 0.707 . . . . 58.34 112.908 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.3 t -96.48 124.12 49.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.08 -1.081 . . . . 28.19 108.08 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.6 tp -89.05 117.92 28.4 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.676 -1.231 . . . . 33.63 107.676 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -115.88 128.46 73.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.758 -0.83 . . . . 36.01 108.758 -168.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.2 t -125.31 128.54 48.38 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.449 0.468 . . . . 36.33 110.513 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.58 128.23 62.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.622 -1.251 . . . . 32.48 107.622 170.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -107.73 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.141 -1.429 . . . . 37.11 107.141 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -70.57 132.92 46.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.684 -0.689 . . . . 57.87 110.715 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.59 -151.25 14.81 Favored Glycine 0 C--N 1.33 0.245 0 N-CA-C 110.785 -0.926 . . . . 31.11 110.785 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -64.07 -37.38 87.23 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.948 -0.701 . . . . 56.62 111.489 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.2 131.4 35.11 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.285 0.564 . . . . 40.26 111.2 -174.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -75.84 144.18 41.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.614 -0.721 . . . . 76.73 110.159 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.3 t30 55.65 45.35 24.88 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.422 0.63 . . . . 57.31 111.494 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -102.81 128.13 49.7 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.32 -0.622 . . . . 37.03 109.32 -176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.39 -162.1 35.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.468 -0.872 . . . . 29.57 111.345 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.481 ' HB3' HD23 ' A' ' 119' ' ' LEU . 41.0 p-90 -161.56 159.88 28.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.611 0.719 . . . . 31.54 109.351 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -132.02 141.1 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.689 -1.141 . . . . 57.91 107.982 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.619 ' HG2' HD11 ' A' ' 115' ' ' LEU . 12.0 ttmt -134.76 129.25 34.35 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.772 -1.195 . . . . 59.54 107.772 -173.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -155.29 157.74 37.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 117.973 -1.491 . . . . 34.0 109.353 174.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.405 HD13 HD13 ' A' ' 115' ' ' LEU . 4.9 mm -95.49 144.18 10.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 124.54 1.136 . . . . 54.98 109.562 176.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -144.0 118.89 9.94 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.188 -1.412 . . . . 66.69 107.188 164.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.84 -125.03 32.02 Favored Glycine 0 C--O 1.24 0.471 0 N-CA-C 109.237 -1.545 . . . . 46.44 109.237 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -104.98 15.44 27.7 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 122.079 -0.659 . . . . 52.46 112.163 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.552 ' HE3' ' HD3' ' A' ' 131' ' ' LYS . 10.1 mttp -114.11 142.72 45.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.178 0.513 . . . . 60.66 110.6 -179.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.619 HD11 ' HG2' ' A' ' 108' ' ' LYS . 20.2 tp -107.07 124.6 49.89 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.75 -1.204 . . . . 34.7 107.75 174.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -104.13 133.72 48.58 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.113 0.965 . . . . 41.37 108.758 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD13 ' HE3' ' A' ' 108' ' ' LYS . 13.9 tp -130.62 126.59 37.02 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.685 -1.228 . . . . 32.68 107.685 176.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 301' ' ' HOH . 19.1 mt-10 -116.59 115.23 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.907 -1.146 . . . . 52.33 107.907 175.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 106' ' ' TRP . 6.9 mt -93.25 140.23 29.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.885 -0.413 . . . . 31.32 109.885 172.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 43.2 p -131.9 140.88 49.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.113 0.482 . . . . 36.92 109.904 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.5 t -155.37 123.17 5.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.742 -1.577 . . . . 32.55 106.742 169.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.25 -134.22 48.44 Favored Glycine 0 C--O 1.237 0.3 0 C-N-CA 119.392 -1.385 . . . . 44.38 110.263 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -89.9 9.95 25.7 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.941 0.719 . . . . 57.3 112.941 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -102.45 135.6 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 118.214 0.461 . . . . 41.43 110.643 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -123.53 133.02 70.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.017 -1.105 . . . . 37.01 108.017 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -118.75 126.57 52.18 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.66 -0.867 . . . . 30.63 108.66 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -110.14 119.3 38.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.795 0.838 . . . . 63.77 108.976 -172.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -118.52 141.23 48.77 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.456 -0.942 . . . . 38.11 108.456 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.3 t -126.3 133.26 69.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 107.757 -1.201 . . . . 32.91 107.757 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.77 144.03 49.04 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.457 0.703 . . . . 35.38 109.48 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.552 ' HD3' ' HE3' ' A' ' 114' ' ' LYS . 14.3 tptp -100.42 138.46 37.45 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.483 1.113 . . . . 70.47 108.591 173.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -73.21 136.31 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.008 -0.677 . . . . 41.84 110.194 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 68.09 110.346 176.4 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ACT . . . . . 0.415 ' H1 ' ' O ' ' A' ' 69' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.415 ' O ' ' OE2' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_