data_7bvo_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 7bvo _Structure_validation_residue.Date_analyzed 2020-11-21 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' ' ' LYS . . . . . . . . . . . . . 56.1 tttm . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 110.156 -0.313 . . . . 42.49 110.156 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -102.98 104.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.994 -1.484 . . . . 38.56 106.994 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -69.87 151.8 45.27 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.77 0.795 . . . . 37.27 111.165 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.83 160.58 45.1 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.321 -0.942 . . . . 33.0 111.121 160.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.89 -57.26 13.55 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.853 0.359 . . . . 42.01 111.37 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.9 m -69.66 -32.72 71.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.261 -0.576 . . . . 34.37 111.986 -178.977 -62.76 -59.668 -69.209 104.847 2.033 104.308 -63.711 -53.267 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -58.19 -47.72 82.55 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.067 -0.653 . . . . 39.11 111.007 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.8 tp -67.33 -44.33 79.37 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.385 -0.526 . . . . 29.95 111.444 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.73 -47.13 30.34 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.006 0.431 . . . . 30.0 111.038 174.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.43 77.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.424 -0.51 . . . . 34.96 111.426 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.13 98.18 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 119.408 -0.917 . . . . 31.62 110.798 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 35.1 mtt -64.55 -40.89 96.41 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.856 -1.138 . . . . 36.38 110.877 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -72.64 -2.7 21.08 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 123.773 0.671 . . . . 77.27 110.321 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.98 -8.11 22.71 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 114.589 -2.844 . . . . 59.3 111.721 171.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -115.88 5.74 14.11 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.079 1.881 . . . . 48.44 116.079 -170.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.25 -0.69 7.05 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 119.053 0.842 . . . . 47.91 113.414 167.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.3 -19.23 20.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 115.574 1.694 . . . . 41.97 115.574 -156.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -65.69 116.03 6.48 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 120.569 1.531 . . . . 56.45 108.763 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 m120 65.37 22.79 12.02 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.195 1.398 . . . . 53.31 113.966 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.82 126.75 29.48 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.289 -0.882 . . . . 42.65 110.005 172.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 52.66 29.9 8.0 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.206 0.602 . . . . 69.63 111.545 -174.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.58 5.56 81.7 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 116.532 1.373 . . . . 31.61 116.532 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.13 112.18 24.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.184 1.492 . . . . 31.83 109.215 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -63.02 160.96 13.98 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.954 0.883 . . . . 30.15 111.151 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.24 -30.49 69.46 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.965 -1.016 . . . . 30.28 112.325 -171.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -28.7 71.36 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.575 -0.821 . . . . 26.42 113.465 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -64.7 -47.19 79.26 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.577 0.689 . . . . 28.38 111.648 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -65.6 -40.49 92.72 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 111.898 0.333 . . . . 31.98 111.898 -177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.6 -39.0 77.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 C-N-CA 119.721 -0.792 . . . . 27.81 110.148 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.4 t -60.09 -46.23 90.3 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 122.018 -0.426 . . . . 23.86 111.287 175.584 -173.364 -93.06 -92.395 103.055 2.037 103.265 -81.43 -55.228 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -43.25 99.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.573 -0.451 . . . . 30.02 111.427 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.44 97.35 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.286 -0.566 . . . . 26.28 111.721 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -52.41 -55.98 18.09 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.134 -0.354 . . . . 44.12 111.683 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -80.77 -19.4 44.92 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.199 -1.0 . . . . 33.53 113.616 -174.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.06 -40.52 27.51 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.294 -0.962 . . . . 31.23 112.034 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p -133.09 -2.93 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.186 1.18 . . . . 28.04 114.186 -168.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 t30 52.61 35.96 19.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.805 0.73 . . . . 49.66 111.358 -170.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 67.33 20.74 9.97 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.312 1.445 . . . . 32.74 113.403 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -102.14 114.82 29.3 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 121.169 -0.957 . . . . 31.02 109.116 -176.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.3 p -62.72 -20.99 65.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.612 -0.835 . . . . 29.77 112.862 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -93.69 4.77 53.44 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 114.1 1.148 . . . . 32.03 114.1 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.83 135.33 57.28 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.957 0.884 . . . . 23.97 112.602 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.6 p -133.32 147.89 51.88 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.254 -0.884 . . . . 31.66 109.209 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -145.26 132.44 20.47 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.747 -0.66 . . . . 45.6 109.734 175.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -89.21 138.06 31.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.755 0.659 . . . . 57.99 109.652 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -102.24 165.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.723 0.773 . . . . 44.86 110.487 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 p -71.3 -24.48 62.14 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.019 -1.072 . . . . 66.5 112.472 -174.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -78.25 5.82 9.51 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.083 0.771 . . . . 45.66 113.083 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 -12.64 69.37 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 115.167 0.827 . . . . 37.22 115.167 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.1 p -79.33 169.62 17.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.396 1.098 . . . . 31.66 110.388 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 m -134.44 141.82 46.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.462 -0.79 . . . . 29.45 109.636 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -97.48 139.56 33.22 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.905 0.882 . . . . 34.36 110.294 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -130.22 129.06 42.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.884 0.698 . . . . 29.46 112.884 -168.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.51 -168.06 34.44 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-O 123.114 1.396 . . . . 27.8 114.731 162.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 tp -58.49 -31.81 44.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 113.485 -1.358 . . . . 37.09 111.684 -172.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.1 mt -113.79 10.73 17.87 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.597 -0.689 . . . . 30.77 112.744 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 54.06 54.42 9.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 122.323 1.059 . . . . 31.09 111.554 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.46 137.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.66 -1.155 . . . . 29.14 109.631 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.28 140.68 29.28 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.452 0.701 . . . . 36.03 112.781 -165.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.0 p -83.12 -10.68 58.54 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.01 1.115 . . . . 32.91 114.01 -173.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.2 ttm-85 -70.12 -29.44 66.37 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 118.374 -1.33 . . . . 66.22 111.501 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -117.17 -37.85 3.47 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 114.611 1.338 . . . . 56.96 114.611 -173.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -111.49 -27.18 8.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 115.592 1.701 . . . . 32.49 115.592 -157.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.4 p -144.56 161.86 38.06 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.854 1.206 . . . . 33.07 109.431 -179.501 61.224 85.25 94.756 103.258 2.04 103.761 -61.383 -60.142 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.89 119.4 38.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.987 -0.551 . . . . 45.11 109.779 -177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -111.89 9.44 20.61 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.071 0.397 . . . . 28.52 112.071 171.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.58 8.09 55.39 Favored Glycine 0 CA--C 1.507 -0.444 0 N-CA-C 115.009 0.764 . . . . 37.17 115.009 174.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -140.61 19.42 2.36 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.38 1.09 . . . . 42.8 112.526 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.8 m -114.9 91.21 25.47 Favored Pre-proline 0 C--O 1.24 0.582 0 N-CA-C 107.918 -1.142 . . . . 46.87 107.918 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -60.79 137.29 71.88 Favored 'Trans proline' 0 C--N 1.331 -0.378 0 CA-C-N 118.662 0.558 . . . . 57.23 111.438 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.17 26.79 65.44 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 115.482 0.953 . . . . 61.01 115.482 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.3 p -93.15 165.35 12.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.225 1.013 . . . . 54.09 110.519 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -110.96 -15.6 13.72 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 115.442 1.645 . . . . 73.32 115.442 -163.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 42.05 57.03 3.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.566 1.147 . . . . 39.54 112.664 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.52 -21.82 61.86 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.16 0.8 . . . . 38.33 113.16 -174.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.3 m -90.01 -3.71 57.83 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.9 0.704 . . . . 37.96 112.9 174.213 -69.847 171.975 84.201 104.209 2.041 105.565 53.304 -172.555 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . 0.653 ' OD1' ' O ' ' A' ' 301' ' ' HOH . 65.3 t30 59.57 47.16 11.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.769 0.795 . . . . 60.23 111.52 172.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.1 pt -143.28 154.5 60.87 Favored Pre-proline 0 C--O 1.237 0.399 0 CA-C-N 115.87 -0.605 . . . . 43.42 109.389 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -73.61 141.07 30.51 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 N-CA-C 109.419 -1.031 . . . . 37.0 109.419 164.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.0 m -57.41 -28.05 62.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.319 -0.855 . . . . 29.07 111.74 -178.166 -60.142 -61.383 94.756 103.761 2.04 103.258 85.25 61.224 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.4 p -65.06 -27.4 68.75 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.435 -0.506 . . . . 28.57 112.051 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.96 67.22 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.494 0.553 . . . . 36.45 112.494 173.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.75 -8.68 56.98 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 113.29 0.848 . . . . 32.57 113.29 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -98.86 -0.02 43.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.376 0.535 . . . . 37.79 112.324 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.0 t -63.33 156.96 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 41.16 111.623 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.6 p -69.54 -24.22 63.69 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.118 -0.633 . . . . 39.24 111.385 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -82.85 116.04 22.0 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.048 -1.093 . . . . 52.18 108.048 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 pt -83.66 5.43 2.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 119.153 -1.019 . . . . 36.46 112.314 -169.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -56.56 -47.48 79.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.901 -0.72 . . . . 33.16 111.792 -171.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.08 94.63 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.236 -0.586 . . . . 34.94 111.089 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -63.93 -45.24 90.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.787 0.327 . . . . 37.26 110.877 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.56 -40.03 87.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.979 0.418 . . . . 34.81 110.785 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -69.81 -35.53 74.89 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.782 -0.767 . . . . 45.53 111.518 -177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 39.7 t -70.85 -42.42 70.17 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.339 -0.545 . . . . 29.42 111.526 175.229 -172.555 53.304 84.201 105.565 2.041 104.209 171.975 -69.847 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.4 67.54 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 121.915 -0.49 . . . . 28.88 112.037 175.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.88 -36.51 84.17 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.62 -0.832 . . . . 37.14 111.11 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.21 -35.86 66.4 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 118.449 -1.3 . . . . 60.54 111.266 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.8 -50.24 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.032 0.444 . . . . 27.09 110.314 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.47 -17.31 22.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 119.747 -0.781 . . . . 33.14 111.079 -175.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.3 m -89.8 -1.26 57.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.454 0.909 . . . . 36.81 113.454 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -89.24 5.68 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 119.125 0.875 . . . . 48.1 113.253 -168.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.42 -30.76 4.85 Favored Glycine 0 C--N 1.338 0.693 0 N-CA-C 114.559 0.583 . . . . 39.9 114.559 173.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -102.44 5.63 39.7 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.304 0.854 . . . . 59.55 113.304 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.56 -145.43 32.07 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-O 122.109 0.838 . . . . 26.57 111.677 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 38.9 mtp -77.74 -3.4 41.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.654 -0.818 . . . . 26.6 112.723 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -61.65 -13.53 23.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.752 0.705 . . . . 29.41 112.623 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.89 59.12 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.603 0.594 . . . . 35.43 112.603 172.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -103.21 110.86 22.98 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.443 -0.947 . . . . 30.96 108.443 -176.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.33 -39.47 81.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.243 -0.435 . . . . 39.74 111.177 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.78 69.61 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 118.489 -1.284 . . . . 28.98 111.487 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -66.76 -47.77 71.17 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.382 -0.927 . . . . 27.57 110.416 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 -54.91 -42.87 72.71 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.402 -0.363 . . . . 51.14 111.571 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -91.88 -23.98 19.47 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 114.023 1.12 . . . . 33.45 114.023 -170.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -124.93 -12.52 7.02 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 115.039 1.496 . . . . 36.84 115.039 -171.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.4 m -116.32 -45.64 2.82 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 119.481 1.037 . . . . 28.3 112.827 178.966 -55.228 -81.43 -92.395 103.265 2.037 103.055 -93.06 -173.364 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -50.41 129.38 21.79 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.837 0.29 . . . . 30.26 110.391 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 74.55 9.13 81.91 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 115.364 0.906 . . . . 40.47 115.364 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 p -102.15 173.65 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 118.617 1.208 . . . . 34.67 109.146 172.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.84 82.81 5.87 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.589 -1.263 . . . . 51.8 107.589 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.69 -18.21 19.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 115.312 -0.858 . . . . 36.7 111.987 -175.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -24.0 67.58 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 121.903 -0.498 . . . . 76.02 112.047 178.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.22 -17.25 52.3 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.692 -0.403 . . . . 38.81 112.044 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -79.04 -21.22 47.19 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.992 0.738 . . . . 41.65 112.992 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 36.7 pt -105.53 4.07 10.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 118.552 0.614 . . . . 40.92 112.342 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.78 140.23 58.85 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 118.243 0.474 . . . . 61.75 110.086 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.55 -4.02 65.98 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 115.568 0.987 . . . . 45.65 115.568 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 51.9 m -89.05 143.73 26.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.11 1.455 . . . . 40.89 110.233 -177.649 -53.267 -63.711 -69.209 104.308 2.033 104.847 -59.668 -62.76 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -81.31 101.53 9.84 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.996 0.903 . . . . 79.36 110.919 171.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.319 -0.855 . . . . 64.57 109.595 -175.926 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.653 ' O ' ' OD1' ' A' ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 tttm . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 110.156 -0.313 . . . . 42.49 110.156 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -102.98 104.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.994 -1.484 . . . . 38.56 106.994 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -69.87 151.8 45.27 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.77 0.795 . . . . 37.27 111.165 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.83 160.58 45.1 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.321 -0.942 . . . . 33.0 111.121 160.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.89 -57.26 13.55 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.853 0.359 . . . . 42.01 111.37 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.9 m -69.66 -32.72 71.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.261 -0.576 . . . . 34.37 111.986 -178.977 -62.76 -59.668 -69.209 104.847 2.033 104.308 -63.711 -53.267 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -58.19 -47.72 82.55 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.067 -0.653 . . . . 39.11 111.007 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.8 tp -67.33 -44.33 79.37 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.385 -0.526 . . . . 29.95 111.444 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.73 -47.13 30.34 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.006 0.431 . . . . 30.0 111.038 174.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.43 77.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.424 -0.51 . . . . 34.96 111.426 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.13 98.18 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 119.408 -0.917 . . . . 31.62 110.798 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 35.1 mtt -64.55 -40.89 96.41 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.856 -1.138 . . . . 36.38 110.877 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 37.7 tttt -72.64 -2.7 21.08 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 123.773 0.671 . . . . 77.27 110.321 175.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.98 -8.11 22.71 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 114.589 -2.844 . . . . 59.3 111.721 171.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -115.88 5.74 14.11 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.079 1.881 . . . . 48.44 116.079 -170.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.25 -0.69 7.05 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 119.053 0.842 . . . . 47.91 113.414 167.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.3 -19.23 20.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 115.574 1.694 . . . . 41.97 115.574 -156.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -65.69 116.03 6.48 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 120.569 1.531 . . . . 56.45 108.763 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 m120 65.37 22.79 12.02 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.195 1.398 . . . . 53.31 113.966 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.82 126.75 29.48 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.289 -0.882 . . . . 42.65 110.005 172.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 52.66 29.9 8.0 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.206 0.602 . . . . 69.63 111.545 -174.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.58 5.56 81.7 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 116.532 1.373 . . . . 31.61 116.532 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.13 112.18 24.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.184 1.492 . . . . 31.83 109.215 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -63.02 160.96 13.98 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.954 0.883 . . . . 30.15 111.151 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.24 -30.49 69.46 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.965 -1.016 . . . . 30.28 112.325 -171.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -28.7 71.36 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.575 -0.821 . . . . 26.42 113.465 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -64.7 -47.19 79.26 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.577 0.689 . . . . 28.38 111.648 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -65.6 -40.49 92.72 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 111.898 0.333 . . . . 31.98 111.898 -177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.6 -39.0 77.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 C-N-CA 119.721 -0.792 . . . . 27.81 110.148 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.4 t -60.09 -46.23 90.3 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 122.018 -0.426 . . . . 23.86 111.287 175.584 -173.364 -93.06 -92.395 103.055 2.037 103.265 -81.43 -55.228 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -43.25 99.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.573 -0.451 . . . . 30.02 111.427 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.44 97.35 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.286 -0.566 . . . . 26.28 111.721 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 53.7 tptt -52.41 -55.98 18.09 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.134 -0.354 . . . . 44.12 111.683 178.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -80.77 -19.4 44.92 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.199 -1.0 . . . . 33.53 113.616 -174.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.06 -40.52 27.51 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.294 -0.962 . . . . 31.23 112.034 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p -133.09 -2.93 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.186 1.18 . . . . 28.04 114.186 -168.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 t30 52.61 35.96 19.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.805 0.73 . . . . 49.66 111.358 -170.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 67.33 20.74 9.97 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.312 1.445 . . . . 32.74 113.403 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -102.14 114.82 29.3 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 121.169 -0.957 . . . . 31.02 109.116 -176.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.3 p -62.72 -20.99 65.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.612 -0.835 . . . . 29.77 112.862 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -93.69 4.77 53.44 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 114.1 1.148 . . . . 32.03 114.1 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.83 135.33 57.28 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.957 0.884 . . . . 23.97 112.602 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.6 p -133.32 147.89 51.88 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.254 -0.884 . . . . 31.66 109.209 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -145.26 132.44 20.47 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.747 -0.66 . . . . 45.6 109.734 175.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -89.21 138.06 31.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.755 0.659 . . . . 57.99 109.652 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -102.24 165.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.723 0.773 . . . . 44.86 110.487 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 p -71.3 -24.48 62.14 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.019 -1.072 . . . . 66.5 112.472 -174.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -78.25 5.82 9.51 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.083 0.771 . . . . 45.66 113.083 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 -12.64 69.37 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 115.167 0.827 . . . . 37.22 115.167 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.1 p -79.33 169.62 17.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.396 1.098 . . . . 31.66 110.388 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 m -134.44 141.82 46.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.462 -0.79 . . . . 29.45 109.636 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -97.48 139.56 33.22 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.905 0.882 . . . . 34.36 110.294 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -130.22 129.06 42.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.884 0.698 . . . . 29.46 112.884 -168.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.51 -168.06 34.44 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-O 123.114 1.396 . . . . 27.8 114.731 162.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 tp -58.49 -31.81 44.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 113.485 -1.358 . . . . 37.09 111.684 -172.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.1 mt -113.79 10.73 17.87 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.597 -0.689 . . . . 30.77 112.744 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 54.06 54.42 9.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 122.323 1.059 . . . . 31.09 111.554 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.46 137.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.66 -1.155 . . . . 29.14 109.631 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.28 140.68 29.28 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.452 0.701 . . . . 36.03 112.781 -165.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.0 p -83.12 -10.68 58.54 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.01 1.115 . . . . 32.91 114.01 -173.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.2 ttm-85 -70.12 -29.44 66.37 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 118.374 -1.33 . . . . 66.22 111.501 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -117.17 -37.85 3.47 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 114.611 1.338 . . . . 56.96 114.611 -173.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -111.49 -27.18 8.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 115.592 1.701 . . . . 32.49 115.592 -157.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.4 p -144.56 161.86 38.06 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.854 1.206 . . . . 33.07 109.431 -179.501 61.224 85.25 94.756 103.258 2.04 103.761 -61.383 -60.142 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.89 119.4 38.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.987 -0.551 . . . . 45.11 109.779 -177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -111.89 9.44 20.61 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.071 0.397 . . . . 28.52 112.071 171.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.58 8.09 55.39 Favored Glycine 0 CA--C 1.507 -0.444 0 N-CA-C 115.009 0.764 . . . . 37.17 115.009 174.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -140.61 19.42 2.36 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.38 1.09 . . . . 42.8 112.526 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.8 m -114.9 91.21 25.47 Favored Pre-proline 0 C--O 1.24 0.582 0 N-CA-C 107.918 -1.142 . . . . 46.87 107.918 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -60.79 137.29 71.88 Favored 'Trans proline' 0 C--N 1.331 -0.378 0 CA-C-N 118.662 0.558 . . . . 57.23 111.438 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.17 26.79 65.44 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 115.482 0.953 . . . . 61.01 115.482 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.3 p -93.15 165.35 12.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.225 1.013 . . . . 54.09 110.519 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -110.96 -15.6 13.72 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 115.442 1.645 . . . . 73.32 115.442 -163.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 42.05 57.03 3.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.566 1.147 . . . . 39.54 112.664 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.52 -21.82 61.86 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.16 0.8 . . . . 38.33 113.16 -174.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.3 m -90.01 -3.71 57.83 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.9 0.704 . . . . 37.96 112.9 174.213 -69.847 171.975 84.201 104.209 2.041 105.565 53.304 -172.555 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . 0.653 ' OD1' ' O ' ' A' ' 301' ' ' HOH . 65.3 t30 59.57 47.16 11.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.769 0.795 . . . . 60.23 111.52 172.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.1 pt -143.28 154.5 60.87 Favored Pre-proline 0 C--O 1.237 0.399 0 CA-C-N 115.87 -0.605 . . . . 43.42 109.389 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -73.61 141.07 30.51 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 N-CA-C 109.419 -1.031 . . . . 37.0 109.419 164.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.0 m -57.41 -28.05 62.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.319 -0.855 . . . . 29.07 111.74 -178.166 -60.142 -61.383 94.756 103.761 2.04 103.258 85.25 61.224 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.4 p -65.06 -27.4 68.75 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.435 -0.506 . . . . 28.57 112.051 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.96 67.22 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.494 0.553 . . . . 36.45 112.494 173.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.75 -8.68 56.98 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 113.29 0.848 . . . . 32.57 113.29 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -98.86 -0.02 43.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.376 0.535 . . . . 37.79 112.324 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.0 t -63.33 156.96 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 41.16 111.623 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.6 p -69.54 -24.22 63.69 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.118 -0.633 . . . . 39.24 111.385 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -82.85 116.04 22.0 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.048 -1.093 . . . . 52.18 108.048 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 pt -83.66 5.43 2.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 119.153 -1.019 . . . . 36.46 112.314 -169.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -56.56 -47.48 79.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.901 -0.72 . . . . 33.16 111.792 -171.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.08 94.63 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.236 -0.586 . . . . 34.94 111.089 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -63.93 -45.24 90.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.787 0.327 . . . . 37.26 110.877 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.56 -40.03 87.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.979 0.418 . . . . 34.81 110.785 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -69.81 -35.53 74.89 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.782 -0.767 . . . . 45.53 111.518 -177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 39.7 t -70.85 -42.42 70.17 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.339 -0.545 . . . . 29.42 111.526 175.229 -172.555 53.304 84.201 105.565 2.041 104.209 171.975 -69.847 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.4 67.54 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 121.915 -0.49 . . . . 28.88 112.037 175.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.88 -36.51 84.17 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.62 -0.832 . . . . 37.14 111.11 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.21 -35.86 66.4 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 118.449 -1.3 . . . . 60.54 111.266 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.8 -50.24 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.032 0.444 . . . . 27.09 110.314 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.47 -17.31 22.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 119.747 -0.781 . . . . 33.14 111.079 -175.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.3 m -89.8 -1.26 57.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.454 0.909 . . . . 36.81 113.454 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -89.24 5.68 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 119.125 0.875 . . . . 48.1 113.253 -168.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.42 -30.76 4.85 Favored Glycine 0 C--N 1.338 0.693 0 N-CA-C 114.559 0.583 . . . . 39.9 114.559 173.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -102.44 5.63 39.7 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.304 0.854 . . . . 59.55 113.304 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.56 -145.43 32.07 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-O 122.109 0.838 . . . . 26.57 111.677 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 38.9 mtp -77.74 -3.4 41.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.654 -0.818 . . . . 26.6 112.723 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -61.65 -13.53 23.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.752 0.705 . . . . 29.41 112.623 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.89 59.12 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.603 0.594 . . . . 35.43 112.603 172.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -103.21 110.86 22.98 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.443 -0.947 . . . . 30.96 108.443 -176.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 321' ' ' HOH . 57.6 t -60.33 -39.47 81.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.243 -0.435 . . . . 39.74 111.177 -174.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.78 69.61 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 118.489 -1.284 . . . . 28.98 111.487 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . 0.427 ' CD1' ' HB2' ' A' ' 115' ' ' CYS . 85.9 t90 -66.76 -47.77 71.17 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.382 -0.927 . . . . 27.57 110.416 174.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 -54.91 -42.87 72.71 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.402 -0.363 . . . . 51.14 111.571 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -91.88 -23.98 19.47 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 114.023 1.12 . . . . 33.45 114.023 -170.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -124.93 -12.52 7.02 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 115.039 1.496 . . . . 36.84 115.039 -171.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 111' ' ' TRP . 59.4 m -116.32 -45.64 2.82 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 119.481 1.037 . . . . 28.3 112.827 178.966 -55.228 -81.43 -92.395 103.265 2.037 103.055 -93.06 -173.364 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -50.41 129.38 21.79 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.837 0.29 . . . . 30.26 110.391 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 74.55 9.13 81.91 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 115.364 0.906 . . . . 40.47 115.364 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 p -102.15 173.65 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 118.617 1.208 . . . . 34.67 109.146 172.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.84 82.81 5.87 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.589 -1.263 . . . . 51.8 107.589 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.69 -18.21 19.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 115.312 -0.858 . . . . 36.7 111.987 -175.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -24.0 67.58 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 121.903 -0.498 . . . . 76.02 112.047 178.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.22 -17.25 52.3 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.692 -0.403 . . . . 38.81 112.044 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.415 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 82.2 m95 -79.04 -21.22 47.19 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.992 0.738 . . . . 41.65 112.992 -176.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 36.7 pt -105.53 4.07 10.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 118.552 0.614 . . . . 40.92 112.342 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.78 140.23 58.85 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 118.243 0.474 . . . . 61.75 110.086 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.55 -4.02 65.98 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 115.568 0.987 . . . . 45.65 115.568 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 51.9 m -89.05 143.73 26.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.11 1.455 . . . . 40.89 110.233 -177.649 -53.267 -63.711 -69.209 104.308 2.033 104.847 -59.668 -62.76 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -81.31 101.53 9.84 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.996 0.903 . . . . 79.36 110.919 171.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.319 -0.855 . . . . 64.57 109.595 -175.926 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.653 ' O ' ' OD1' ' A' ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.464 ' O ' HG23 ' A' ' 109' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 tttm . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 110.156 -0.313 . . . . 42.49 110.156 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -102.98 104.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.994 -1.484 . . . . 38.56 106.994 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -69.87 151.8 45.27 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.77 0.795 . . . . 37.27 111.165 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.83 160.58 45.1 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.321 -0.942 . . . . 33.0 111.121 160.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.89 -57.26 13.55 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.853 0.359 . . . . 42.01 111.37 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.9 m -69.66 -32.72 71.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.261 -0.576 . . . . 34.37 111.986 -178.977 -62.76 -59.668 -69.209 104.847 2.033 104.308 -63.711 -53.267 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -58.19 -47.72 82.55 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.067 -0.653 . . . . 39.11 111.007 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.8 tp -67.33 -44.33 79.37 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.385 -0.526 . . . . 29.95 111.444 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.73 -47.13 30.34 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.006 0.431 . . . . 30.0 111.038 174.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.43 77.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.424 -0.51 . . . . 34.96 111.426 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.13 98.18 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 119.408 -0.917 . . . . 31.62 110.798 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 35.1 mtt -64.55 -40.89 96.41 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 118.856 -1.138 . . . . 36.38 110.877 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 37.7 tttt -72.64 -2.7 21.08 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 123.773 0.671 . . . . 77.27 110.321 175.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -100.98 -8.11 22.71 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 114.589 -2.844 . . . . 59.3 111.721 171.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -115.88 5.74 14.11 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.079 1.881 . . . . 48.44 116.079 -170.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.25 -0.69 7.05 Favored Glycine 0 CA--C 1.502 -0.726 0 CA-C-N 119.053 0.842 . . . . 47.91 113.414 167.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.3 -19.23 20.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 115.574 1.694 . . . . 41.97 115.574 -156.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -65.69 116.03 6.48 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 120.569 1.531 . . . . 56.45 108.763 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 m120 65.37 22.79 12.02 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.195 1.398 . . . . 53.31 113.966 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.82 126.75 29.48 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.289 -0.882 . . . . 42.65 110.005 172.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 52.66 29.9 8.0 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.206 0.602 . . . . 69.63 111.545 -174.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.58 5.56 81.7 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 116.532 1.373 . . . . 31.61 116.532 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.13 112.18 24.58 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.184 1.492 . . . . 31.83 109.215 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -63.02 160.96 13.98 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.954 0.883 . . . . 30.15 111.151 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.24 -30.49 69.46 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.965 -1.016 . . . . 30.28 112.325 -171.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -28.7 71.36 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 120.575 -0.821 . . . . 26.42 113.465 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -64.7 -47.19 79.26 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 117.577 0.689 . . . . 28.38 111.648 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -65.6 -40.49 92.72 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 111.898 0.333 . . . . 31.98 111.898 -177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.6 -39.0 77.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 C-N-CA 119.721 -0.792 . . . . 27.81 110.148 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.4 t -60.09 -46.23 90.3 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 122.018 -0.426 . . . . 23.86 111.287 175.584 -173.364 -93.06 -92.395 103.055 2.037 103.265 -81.43 -55.228 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -43.25 99.24 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.573 -0.451 . . . . 30.02 111.427 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.44 97.35 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.286 -0.566 . . . . 26.28 111.721 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 53.7 tptt -52.41 -55.98 18.09 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.134 -0.354 . . . . 44.12 111.683 178.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -80.77 -19.4 44.92 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.199 -1.0 . . . . 33.53 113.616 -174.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.06 -40.52 27.51 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.294 -0.962 . . . . 31.23 112.034 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 p -133.09 -2.93 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.186 1.18 . . . . 28.04 114.186 -168.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 t30 52.61 35.96 19.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.805 0.73 . . . . 49.66 111.358 -170.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 67.33 20.74 9.97 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.312 1.445 . . . . 32.74 113.403 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -102.14 114.82 29.3 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 121.169 -0.957 . . . . 31.02 109.116 -176.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.3 p -62.72 -20.99 65.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.612 -0.835 . . . . 29.77 112.862 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -93.69 4.77 53.44 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 114.1 1.148 . . . . 32.03 114.1 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.83 135.33 57.28 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.957 0.884 . . . . 23.97 112.602 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.6 p -133.32 147.89 51.88 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.254 -0.884 . . . . 31.66 109.209 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -145.26 132.44 20.47 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.747 -0.66 . . . . 45.6 109.734 175.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -89.21 138.06 31.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.755 0.659 . . . . 57.99 109.652 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -102.24 165.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.723 0.773 . . . . 44.86 110.487 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 p -71.3 -24.48 62.14 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.019 -1.072 . . . . 66.5 112.472 -174.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -78.25 5.82 9.51 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.083 0.771 . . . . 45.66 113.083 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 -12.64 69.37 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 115.167 0.827 . . . . 37.22 115.167 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.1 p -79.33 169.62 17.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.396 1.098 . . . . 31.66 110.388 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 m -134.44 141.82 46.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.462 -0.79 . . . . 29.45 109.636 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -97.48 139.56 33.22 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.905 0.882 . . . . 34.36 110.294 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -130.22 129.06 42.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.884 0.698 . . . . 29.46 112.884 -168.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.51 -168.06 34.44 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-O 123.114 1.396 . . . . 27.8 114.731 162.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 tp -58.49 -31.81 44.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 113.485 -1.358 . . . . 37.09 111.684 -172.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.1 mt -113.79 10.73 17.87 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.597 -0.689 . . . . 30.77 112.744 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 54.06 54.42 9.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 122.323 1.059 . . . . 31.09 111.554 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.46 137.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.66 -1.155 . . . . 29.14 109.631 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.28 140.68 29.28 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.452 0.701 . . . . 36.03 112.781 -165.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.0 p -83.12 -10.68 58.54 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.01 1.115 . . . . 32.91 114.01 -173.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.2 ttm-85 -70.12 -29.44 66.37 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 118.374 -1.33 . . . . 66.22 111.501 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -117.17 -37.85 3.47 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 114.611 1.338 . . . . 56.96 114.611 -173.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -111.49 -27.18 8.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 115.592 1.701 . . . . 32.49 115.592 -157.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.4 p -144.56 161.86 38.06 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.854 1.206 . . . . 33.07 109.431 -179.501 61.224 85.25 94.756 103.258 2.04 103.761 -61.383 -60.142 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.89 119.4 38.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.987 -0.551 . . . . 45.11 109.779 -177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -111.89 9.44 20.61 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.071 0.397 . . . . 28.52 112.071 171.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.58 8.09 55.39 Favored Glycine 0 CA--C 1.507 -0.444 0 N-CA-C 115.009 0.764 . . . . 37.17 115.009 174.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -140.61 19.42 2.36 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.38 1.09 . . . . 42.8 112.526 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.8 m -114.9 91.21 25.47 Favored Pre-proline 0 C--O 1.24 0.582 0 N-CA-C 107.918 -1.142 . . . . 46.87 107.918 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -60.79 137.29 71.88 Favored 'Trans proline' 0 C--N 1.331 -0.378 0 CA-C-N 118.662 0.558 . . . . 57.23 111.438 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.17 26.79 65.44 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 115.482 0.953 . . . . 61.01 115.482 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.3 p -93.15 165.35 12.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.225 1.013 . . . . 54.09 110.519 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -110.96 -15.6 13.72 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 115.442 1.645 . . . . 73.32 115.442 -163.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 42.05 57.03 3.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.566 1.147 . . . . 39.54 112.664 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.52 -21.82 61.86 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.16 0.8 . . . . 38.33 113.16 -174.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.3 m -90.01 -3.71 57.83 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.9 0.704 . . . . 37.96 112.9 174.213 -69.847 171.975 84.201 104.209 2.041 105.565 53.304 -172.555 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.653 ' OD1' ' O ' ' A' ' 301' ' ' HOH . 65.3 t30 59.57 47.16 11.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.769 0.795 . . . . 60.23 111.52 172.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.1 pt -143.28 154.5 60.87 Favored Pre-proline 0 C--O 1.237 0.399 0 CA-C-N 115.87 -0.605 . . . . 43.42 109.389 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -73.61 141.07 30.51 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 N-CA-C 109.419 -1.031 . . . . 37.0 109.419 164.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.0 m -57.41 -28.05 62.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.319 -0.855 . . . . 29.07 111.74 -178.166 -60.142 -61.383 94.756 103.761 2.04 103.258 85.25 61.224 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.4 p -65.06 -27.4 68.75 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.435 -0.506 . . . . 28.57 112.051 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.96 67.22 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.494 0.553 . . . . 36.45 112.494 173.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.75 -8.68 56.98 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 113.29 0.848 . . . . 32.57 113.29 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -98.86 -0.02 43.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 118.376 0.535 . . . . 37.79 112.324 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.0 t -63.33 156.96 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 41.16 111.623 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.6 p -69.54 -24.22 63.69 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.118 -0.633 . . . . 39.24 111.385 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -82.85 116.04 22.0 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.048 -1.093 . . . . 52.18 108.048 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 pt -83.66 5.43 2.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 119.153 -1.019 . . . . 36.46 112.314 -169.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -56.56 -47.48 79.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.901 -0.72 . . . . 33.16 111.792 -171.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.08 94.63 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.236 -0.586 . . . . 34.94 111.089 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -63.93 -45.24 90.1 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.787 0.327 . . . . 37.26 110.877 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.56 -40.03 87.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.979 0.418 . . . . 34.81 110.785 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -69.81 -35.53 74.89 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.782 -0.767 . . . . 45.53 111.518 -177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 39.7 t -70.85 -42.42 70.17 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.339 -0.545 . . . . 29.42 111.526 175.229 -172.555 53.304 84.201 105.565 2.041 104.209 171.975 -69.847 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.4 67.54 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 121.915 -0.49 . . . . 28.88 112.037 175.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.88 -36.51 84.17 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.62 -0.832 . . . . 37.14 111.11 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.21 -35.86 66.4 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 118.449 -1.3 . . . . 60.54 111.266 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.8 -50.24 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.032 0.444 . . . . 27.09 110.314 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.47 -17.31 22.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 119.747 -0.781 . . . . 33.14 111.079 -175.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.3 m -89.8 -1.26 57.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.454 0.909 . . . . 36.81 113.454 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -89.24 5.68 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 119.125 0.875 . . . . 48.1 113.253 -168.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.42 -30.76 4.85 Favored Glycine 0 C--N 1.338 0.693 0 N-CA-C 114.559 0.583 . . . . 39.9 114.559 173.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -102.44 5.63 39.7 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.304 0.854 . . . . 59.55 113.304 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.56 -145.43 32.07 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-O 122.109 0.838 . . . . 26.57 111.677 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 38.9 mtp -77.74 -3.4 41.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.654 -0.818 . . . . 26.6 112.723 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -61.65 -13.53 23.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.752 0.705 . . . . 29.41 112.623 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.89 59.12 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.603 0.594 . . . . 35.43 112.603 172.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -103.21 110.86 22.98 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.443 -0.947 . . . . 30.96 108.443 -176.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 321' ' ' HOH . 57.6 t -60.33 -39.47 81.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.243 -0.435 . . . . 39.74 111.177 -174.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.78 69.61 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 118.489 -1.284 . . . . 28.98 111.487 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.427 ' CD1' ' HB2' ' A' ' 115' ' ' CYS . 85.9 t90 -66.76 -47.77 71.17 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.382 -0.927 . . . . 27.57 110.416 174.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 -54.91 -42.87 72.71 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.402 -0.363 . . . . 51.14 111.571 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -91.88 -23.98 19.47 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 114.023 1.12 . . . . 33.45 114.023 -170.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -124.93 -12.52 7.02 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 115.039 1.496 . . . . 36.84 115.039 -171.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 111' ' ' TRP . 59.4 m -116.32 -45.64 2.82 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 119.481 1.037 . . . . 28.3 112.827 178.966 -55.228 -81.43 -92.395 103.265 2.037 103.055 -93.06 -173.364 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -50.41 129.38 21.79 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.837 0.29 . . . . 30.26 110.391 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 74.55 9.13 81.91 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 115.364 0.906 . . . . 40.47 115.364 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 p -102.15 173.65 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 118.617 1.208 . . . . 34.67 109.146 172.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.84 82.81 5.87 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 107.589 -1.263 . . . . 51.8 107.589 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.69 -18.21 19.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 115.312 -0.858 . . . . 36.7 111.987 -175.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -24.0 67.58 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 121.903 -0.498 . . . . 76.02 112.047 178.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.22 -17.25 52.3 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.692 -0.403 . . . . 38.81 112.044 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.415 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 82.2 m95 -79.04 -21.22 47.19 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.992 0.738 . . . . 41.65 112.992 -176.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 36.7 pt -105.53 4.07 10.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 118.552 0.614 . . . . 40.92 112.342 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.78 140.23 58.85 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 118.243 0.474 . . . . 61.75 110.086 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.55 -4.02 65.98 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 115.568 0.987 . . . . 45.65 115.568 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 51.9 m -89.05 143.73 26.64 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.11 1.455 . . . . 40.89 110.233 -177.649 -53.267 -63.711 -69.209 104.308 2.033 104.847 -59.668 -62.76 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -81.31 101.53 9.84 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.996 0.903 . . . . 79.36 110.919 171.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.319 -0.855 . . . . 64.57 109.595 -175.926 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.653 ' O ' ' OD1' ' A' ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.464 ' O ' HG23 ' A' ' 109' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_