data_2pij_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2pij _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 4.8 ptp . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 113.888 1.07 . . . . 58.12 113.888 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -139.54 133.16 30.43 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 105.427 -2.064 . . . . 63.26 105.427 -176.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -104.56 131.35 52.06 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 107.563 -1.273 . . . . 58.27 107.563 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 pt -134.98 135.86 23.89 Favored Pre-proline 0 CA--C 1.489 -1.375 0 C-N-CA 118.421 -1.312 . . . . 37.48 112.003 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.4 156.21 64.93 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 115.863 -2.291 . . . . 33.09 109.818 -175.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.35 -42.24 70.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.441 1.088 . . . . 28.77 111.185 -172.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.5 m -59.3 -43.46 92.62 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 108.482 -0.932 . . . . 44.67 108.482 -174.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -72.85 -39.48 66.47 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 112.446 -2.161 . . . . 60.12 112.202 -174.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.66 -43.92 80.84 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 108.285 -1.006 . . . . 46.05 108.285 173.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.78 -35.89 70.16 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 113.003 0.742 . . . . 29.09 113.003 -177.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.89 -44.26 96.58 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.716 1.376 . . . . 61.9 114.716 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -114.47 -16.69 11.89 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 115.793 1.775 . . . . 51.56 115.793 -163.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -128.45 -37.44 1.81 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 117.397 2.369 . . . . 39.46 117.397 -167.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.76 -169.12 21.08 Favored Glycine 0 C--O 1.264 2.007 0 C-N-CA 119.363 -1.399 . . . . 26.75 111.219 -168.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.5 p -127.07 167.12 16.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 114.841 -0.679 . . . . 24.85 110.056 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -60.76 -42.58 97.72 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 119.099 -1.04 . . . . 36.89 109.54 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -62.34 -51.39 67.84 Favored 'General case' 0 C--O 1.283 2.817 0 CA-C-N 114.996 -1.002 . . . . 32.13 113.382 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.07 89.68 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-N 115.172 -0.922 . . . . 25.23 111.72 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.425 -0.583 . . . . 24.24 109.425 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.98 66.39 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.426 1.079 . . . . 26.13 109.224 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.99 85.61 Favored 'General case' 0 C--O 1.203 -1.365 0 CA-C-N 118.516 0.598 . . . . 29.37 110.812 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.16 64.11 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 113.04 0.756 . . . . 31.12 113.04 -176.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.52 -25.59 57.37 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 125.344 1.653 . . . . 31.28 111.319 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.24 30.56 22.13 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 114.841 0.696 . . . . 32.72 114.841 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -123.06 165.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.761 -0.829 . . . . 29.71 108.761 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -73.51 150.11 41.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 119.441 -0.903 . . . . 39.16 108.77 173.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.41 -35.69 72.44 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.593 0.711 . . . . 35.84 111.595 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -48.2 -34.6 10.35 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.638 -1.164 . . . . 33.18 112.021 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.67 67.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 120.615 -0.434 . . . . 30.11 111.264 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.12 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 111.865 0.32 . . . . 29.86 111.865 172.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -61.32 -45.69 93.38 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.771 -0.825 . . . . 37.3 108.771 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 626' ' ' HOH . 11.1 tm0? -57.63 -41.67 81.81 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.148 -0.933 . . . . 54.02 112.674 177.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' MSE . . . . . . . . . . . . . 34.9 mtt -64.0 -41.31 97.52 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.553 0.692 . . . . 39.26 111.953 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.97 -46.8 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.18 -1.044 . . . . 37.11 108.18 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -65.89 -22.45 66.52 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 116.971 2.211 . . . . 58.3 116.971 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.49 5.71 29.51 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.154 0.909 . . . . 43.71 111.166 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.12 72.32 Favored Glycine 0 N--CA 1.476 1.314 0 O-C-N 124.579 1.175 . . . . 38.9 113.686 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -71.06 153.91 42.2 Favored 'General case' 0 CA--C 1.486 -1.515 0 C-N-CA 118.645 -1.222 . . . . 48.7 109.504 -169.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -92.1 94.12 9.07 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.669 -1.234 . . . . 27.09 107.669 -170.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mm -116.93 128.61 74.29 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 CA-C-N 115.041 -0.981 . . . . 27.44 108.494 -172.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -112.91 129.93 56.3 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.131 0.972 . . . . 38.6 108.695 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.15 131.35 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 106.477 -1.675 . . . . 32.74 106.477 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.5 m -103.22 121.55 42.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.228 -1.397 . . . . 39.82 107.228 173.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.72 117.9 35.33 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 105.287 -2.116 . . . . 46.19 105.287 -175.402 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . 0.49 ' OH ' ' OE1' ' A' ' 51' ' ' GLU . 78.5 m-85 -94.35 162.28 13.9 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.397 -0.964 . . . . 44.16 108.397 -176.185 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.34 -29.33 70.38 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 113.51 0.93 . . . . 73.65 113.51 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -86.81 1.28 52.87 Favored 'General case' 0 C--O 1.249 1.05 0 O-C-N 124.23 0.956 . . . . 43.74 112.094 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.34 -11.75 63.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 115.381 0.912 . . . . 38.24 115.381 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -67.13 154.56 40.95 Favored 'General case' 0 C--O 1.197 -1.662 0 C-N-CA 118.784 -1.167 . . . . 35.78 108.085 176.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.3 148.25 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 107.189 -1.411 . . . . 32.28 107.189 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' OE1' ' OH ' ' A' ' 45' ' ' TYR . 2.9 pt-20 -128.91 156.59 43.47 Favored 'General case' 0 C--O 1.257 1.491 0 C-N-CA 118.128 -1.429 . . . . 41.66 107.508 162.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -121.72 143.11 49.55 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.046 -0.979 . . . . 26.1 108.791 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.45 146.13 47.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 124.479 1.112 . . . . 31.86 112.516 167.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -97.38 131.06 44.41 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 123.427 1.584 . . . . 34.85 108.137 169.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -93.24 108.8 20.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 CA-C-N 113.213 -1.812 . . . . 30.04 109.449 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -106.04 110.89 64.42 Favored Pre-proline 0 C--N 1.34 0.179 0 CA-C-O 118.574 -0.727 . . . . 82.22 110.6 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.98 143.65 99.62 Favored 'Trans proline' 0 CA--C 1.557 1.646 0 C-N-CA 121.749 1.633 . . . . 39.3 111.503 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.5 mm -124.46 122.36 25.88 Favored Pre-proline 0 C--O 1.26 1.64 0 N-CA-C 107.08 -1.452 . . . . 43.85 107.08 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 C--O 1.279 2.573 0 C-N-CA 131.121 1.717 . . . . 60.02 113.298 4.54 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.798 0.809 . . . . 53.67 113.085 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -122.07 138.37 54.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 75.78 110.611 173.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -121.88 139.51 53.54 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 120.242 -0.583 . . . . 43.12 111.469 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -153.94 128.29 4.65 Favored Pre-proline 0 C--O 1.262 1.718 0 CA-C-N 115.62 -0.718 . . . . 52.17 109.211 -158.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.31 149.92 87.21 Favored 'Trans proline' 0 CA--C 1.551 1.351 0 C-N-CA 116.523 -1.851 . . . . 33.94 111.941 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -52.34 -51.78 56.89 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.936 1.458 . . . . 32.46 114.936 -174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -63.95 -41.63 97.54 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-O 117.924 -1.036 . . . . 50.62 111.847 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -60.13 -46.77 88.53 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.346 0.521 . . . . 75.85 110.76 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -51.19 -54.61 23.86 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 120.034 -0.666 . . . . 49.5 111.297 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.37 -38.58 91.52 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.086 1.143 . . . . 33.53 114.086 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -26.79 61.05 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.775 0.798 . . . . 55.67 110.423 -172.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -122.8 -26.6 4.43 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 115.788 1.773 . . . . 66.13 115.788 -165.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -117.17 -64.71 1.27 Allowed 'General case' 0 C--O 1.252 1.236 0 N-CA-C 119.599 3.185 . . . . 66.4 119.599 -174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.95 174.93 20.32 Favored Glycine 0 C--O 1.22 -0.758 0 N-CA-C 109.499 -1.44 . . . . 35.35 109.499 -164.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 61.5 p -104.21 166.94 10.08 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 107.516 -1.29 . . . . 38.12 107.516 -174.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.53 -42.45 99.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.585 -1.188 . . . . 47.28 109.938 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -55.69 -52.82 62.57 Favored 'General case' 0 C--O 1.266 1.935 0 C-N-CA 124.611 1.165 . . . . 47.3 109.13 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.13 78.19 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 114.141 1.163 . . . . 34.37 114.141 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.69 -44.83 77.72 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.923 -1.111 . . . . 27.84 112.432 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.2 90.77 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.564 -0.71 . . . . 29.53 109.821 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.63 94.72 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.816 -1.084 . . . . 37.75 111.822 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.32 61.94 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.517 0.932 . . . . 34.61 113.517 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -87.22 -14.55 40.74 Favored 'General case' 0 C--O 1.25 1.097 0 N-CA-C 114.641 1.348 . . . . 33.95 114.641 173.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.18 37.65 93.17 Favored Glycine 0 C--O 1.251 1.18 0 N-CA-C 109.686 -1.366 . . . . 44.14 109.686 -173.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 m -114.81 164.86 10.74 Favored 'Isoleucine or valine' 0 C--O 1.26 1.633 0 N-CA-C 116.128 1.899 . . . . 38.3 116.128 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -65.65 124.06 21.38 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 106.502 -1.666 . . . . 36.44 106.502 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.72 -39.28 5.03 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 115.964 1.839 . . . . 47.91 115.964 174.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.6 p -72.18 -17.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.709 0.631 . . . . 35.76 111.858 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.31 93.66 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.821 -0.751 . . . . 38.07 110.452 169.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.98 -49.59 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 C-N-CA 123.199 0.599 . . . . 40.43 111.911 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -52.2 -51.77 56.2 Favored 'General case' 0 N--CA 1.434 -1.25 0 O-C-N 125.628 1.83 . . . . 46.98 110.619 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -56.89 -40.2 75.81 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.407 0.892 . . . . 56.95 113.407 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' MSE . . . . . . . . . . . . . 4.3 mtm -66.46 -41.09 89.57 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 122.187 -0.321 . . . . 47.86 111.429 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.35 -44.5 98.58 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 113.596 0.962 . . . . 51.3 113.596 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 -63.29 -47.97 80.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.678 0.622 . . . . 64.92 112.678 -176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.28 4.35 20.8 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.804 1.409 . . . . 53.68 114.804 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.46 41.45 55.83 Favored Glycine 0 N--CA 1.476 1.319 0 CA-C-O 121.564 0.536 . . . . 48.44 113.186 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -69.73 146.81 51.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 120.194 -0.602 . . . . 50.04 110.674 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -80.83 80.39 7.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 119.232 -0.987 . . . . 39.0 111.554 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -103.21 130.63 53.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 CA-C-O 121.161 0.505 . . . . 26.53 110.106 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -112.74 129.89 56.26 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.637 1.208 . . . . 38.1 108.421 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 43.2 mm -101.66 129.93 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 CA-C-N 115.21 -0.904 . . . . 27.84 110.126 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.8 m -109.36 127.25 54.19 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.208 -0.905 . . . . 29.76 112.532 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -111.51 113.71 26.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.274 1.83 . . . . 42.1 111.43 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.69 155.68 16.74 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 121.039 -0.264 . . . . 43.63 111.445 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.06 -26.31 64.9 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 125.658 1.849 . . . . 62.16 109.765 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -76.69 -0.7 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.341 0.867 . . . . 63.01 113.341 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.98 -27.05 22.4 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.681 1.032 . . . . 56.83 115.681 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 mtm105 -53.38 149.22 7.78 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-O 122.957 1.36 . . . . 65.07 114.395 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -133.39 131.3 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 N-CA-C 105.474 -2.047 . . . . 38.9 105.474 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -123.49 160.87 26.01 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.776 0.672 . . . . 37.29 111.592 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.86 145.59 42.39 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 106.395 -1.705 . . . . 24.85 106.395 -179.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -149.24 138.76 21.67 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 107.936 -1.135 . . . . 25.03 107.936 -178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -91.72 129.26 37.72 Favored 'General case' 0 C--O 1.275 2.407 0 N-CA-C 106.174 -1.787 . . . . 44.84 106.174 168.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -97.7 111.63 27.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.974 0.892 . . . . 31.05 109.952 171.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -111.49 120.82 41.76 Favored Pre-proline 0 C--O 1.217 -0.623 0 CA-C-N 114.657 -1.156 . . . . 85.27 112.637 -176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.18 152.59 79.41 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 117.381 -1.28 . . . . 35.33 112.68 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mm -129.75 113.6 17.74 Favored Pre-proline 0 N--CA 1.443 -0.791 0 N-CA-C 106.004 -1.85 . . . . 52.68 106.004 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.05 166.01 84.4 Favored 'Cis proline' 0 C--O 1.253 1.268 0 C-N-CA 124.984 -0.84 . . . . 41.99 113.183 -0.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.697 -0.668 . . . . 60.18 111.309 176.394 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' BCT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 701' ' ' DTT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 626' ' ' HOH . . . . . 0.487 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 4.8 ptp . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 113.888 1.07 . . . . 58.119999999999997 113.888 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -139.54 133.16 30.43 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 105.427 -2.064 . . . . 63.259999999999998 105.427 -176.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -104.56 131.35 52.06 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 107.563 -1.273 . . . . 58.270000000000003 107.563 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . 0.407 HG22 ' HB3' ' A' ' 8' ' ' LYS . 8.3 pt -134.98 135.86 23.89 Favored Pre-proline 0 CA--C 1.489 -1.375 0 C-N-CA 118.421 -1.312 . . . . 37.479999999999997 112.003 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.4 156.21 64.93 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 115.863 -2.291 . . . . 33.090000000000003 109.818 -175.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.35 -42.24 70.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.441 1.088 . . . . 28.77 111.185 -172.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.5 m -59.3 -43.46 92.62 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 108.482 -0.932 . . . . 44.670000000000002 108.482 -174.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' HG22 ' A' ' 4' ' ' ILE . 22.5 tttt -72.85 -39.48 66.47 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 112.446 -2.161 . . . . 60.119999999999997 112.202 -174.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.66 -43.92 80.84 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 108.285 -1.006 . . . . 46.049999999999997 108.285 173.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.78 -35.89 70.16 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 113.003 0.742 . . . . 29.09 113.003 -177.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.89 -44.26 96.58 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.716 1.376 . . . . 61.899999999999999 114.716 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -114.47 -16.69 11.89 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 115.793 1.775 . . . . 51.560000000000002 115.793 -163.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -128.45 -37.44 1.81 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 117.397 2.369 . . . . 39.460000000000001 117.397 -167.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.76 -169.12 21.08 Favored Glycine 0 C--O 1.264 2.007 0 C-N-CA 119.363 -1.399 . . . . 26.75 111.219 -168.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.5 p -127.07 167.12 16.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 114.841 -0.679 . . . . 24.850000000000001 110.056 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -60.76 -42.58 97.72 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 119.099 -1.04 . . . . 36.890000000000001 109.54 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -62.34 -51.39 67.84 Favored 'General case' 0 C--O 1.283 2.817 0 CA-C-N 114.996 -1.002 . . . . 32.130000000000003 113.382 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.07 89.68 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-N 115.172 -0.922 . . . . 25.23 111.72 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.425 -0.583 . . . . 24.239999999999998 109.425 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.98 66.39 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.426 1.079 . . . . 26.129999999999999 109.224 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.99 85.61 Favored 'General case' 0 C--O 1.203 -1.365 0 CA-C-N 118.516 0.598 . . . . 29.370000000000001 110.812 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.16 64.11 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 113.04 0.756 . . . . 31.120000000000001 113.04 -176.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.52 -25.59 57.37 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 125.344 1.653 . . . . 31.280000000000001 111.319 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.24 30.56 22.13 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 114.841 0.696 . . . . 32.719999999999999 114.841 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -123.06 165.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.761 -0.829 . . . . 29.710000000000001 108.761 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -73.51 150.11 41.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 119.441 -0.903 . . . . 39.159999999999997 108.77 173.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.41 -35.69 72.44 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.593 0.711 . . . . 35.840000000000003 111.595 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -48.2 -34.6 10.35 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.638 -1.164 . . . . 33.18 112.021 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.67 67.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 120.615 -0.434 . . . . 30.109999999999999 111.264 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.12 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 111.865 0.32 . . . . 29.859999999999999 111.865 172.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -61.32 -45.69 93.38 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.771 -0.825 . . . . 37.299999999999997 108.771 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 626' ' ' HOH . 11.1 tm0? -57.63 -41.67 81.81 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.148 -0.933 . . . . 54.020000000000003 112.674 177.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' MSE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 38' ' ' ARG . 34.9 mtt -64.0 -41.31 97.52 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.553 0.692 . . . . 39.259999999999998 111.953 178.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.97 -46.8 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.18 -1.044 . . . . 37.109999999999999 108.18 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -65.89 -22.45 66.52 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 116.971 2.211 . . . . 58.299999999999997 116.971 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.49 5.71 29.51 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.154 0.909 . . . . 43.710000000000001 111.166 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.12 72.32 Favored Glycine 0 N--CA 1.476 1.314 0 O-C-N 124.579 1.175 . . . . 38.899999999999999 113.686 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 33' ' ' MSE . 56.3 mtp180 -71.06 153.91 42.2 Favored 'General case' 0 CA--C 1.486 -1.515 0 C-N-CA 118.645 -1.222 . . . . 48.700000000000003 109.504 -169.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -92.1 94.12 9.07 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.669 -1.234 . . . . 27.09 107.669 -170.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mm -116.93 128.61 74.29 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 CA-C-N 115.041 -0.981 . . . . 27.440000000000001 108.494 -172.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -112.91 129.93 56.3 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.131 0.972 . . . . 38.600000000000001 108.695 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.15 131.35 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 106.477 -1.675 . . . . 32.740000000000002 106.477 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.5 m -103.22 121.55 42.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.228 -1.397 . . . . 39.82 107.228 173.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.72 117.9 35.33 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 105.287 -2.116 . . . . 46.189999999999998 105.287 -175.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.35 162.28 13.9 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.397 -0.964 . . . . 44.159999999999997 108.397 -176.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.34 -29.33 70.38 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 113.51 0.93 . . . . 73.650000000000006 113.51 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -86.81 1.28 52.87 Favored 'General case' 0 C--O 1.249 1.05 0 O-C-N 124.23 0.956 . . . . 43.740000000000002 112.094 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.34 -11.75 63.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 115.381 0.912 . . . . 38.240000000000002 115.381 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -67.13 154.56 40.95 Favored 'General case' 0 C--O 1.197 -1.662 0 C-N-CA 118.784 -1.167 . . . . 35.780000000000001 108.085 176.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.3 148.25 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 107.189 -1.411 . . . . 32.280000000000001 107.189 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -128.91 156.59 43.47 Favored 'General case' 0 C--O 1.257 1.491 0 C-N-CA 118.128 -1.429 . . . . 41.659999999999997 107.508 162.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -121.72 143.11 49.55 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.046 -0.979 . . . . 26.100000000000001 108.791 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.45 146.13 47.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 124.479 1.112 . . . . 31.859999999999999 112.516 167.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -97.38 131.06 44.41 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 123.427 1.584 . . . . 34.850000000000001 108.137 169.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -93.24 108.8 20.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 CA-C-N 113.213 -1.812 . . . . 30.039999999999999 109.449 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -106.04 110.89 64.42 Favored Pre-proline 0 C--N 1.34 0.179 0 CA-C-O 118.574 -0.727 . . . . 82.219999999999999 110.6 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.98 143.65 99.62 Favored 'Trans proline' 0 CA--C 1.557 1.646 0 C-N-CA 121.749 1.633 . . . . 39.299999999999997 111.503 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.5 mm -124.46 122.36 25.88 Favored Pre-proline 0 C--O 1.26 1.64 0 N-CA-C 107.08 -1.452 . . . . 43.850000000000001 107.08 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 C--O 1.279 2.573 0 C-N-CA 131.121 1.717 . . . . 60.020000000000003 113.298 4.54 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.798 0.809 . . . . 53.670000000000002 113.085 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -122.07 138.37 54.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 75.780000000000001 110.611 173.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -121.88 139.51 53.54 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 120.242 -0.583 . . . . 43.119999999999997 111.469 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -153.94 128.29 4.65 Favored Pre-proline 0 C--O 1.262 1.718 0 CA-C-N 115.62 -0.718 . . . . 52.170000000000002 109.211 -158.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.31 149.92 87.21 Favored 'Trans proline' 0 CA--C 1.551 1.351 0 C-N-CA 116.523 -1.851 . . . . 33.939999999999998 111.941 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -52.34 -51.78 56.89 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.936 1.458 . . . . 32.460000000000001 114.936 -174.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . 0.56 ' HB2' ' O2 ' ' B' ' 701' ' ' DTT . 28.0 m -63.95 -41.63 97.54 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-O 117.924 -1.036 . . . . 50.619999999999997 111.847 -177.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -60.13 -46.77 88.53 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.346 0.521 . . . . 75.849999999999994 110.76 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -51.19 -54.61 23.86 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 120.034 -0.666 . . . . 49.5 111.297 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.37 -38.58 91.52 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.086 1.143 . . . . 33.530000000000001 114.086 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -26.79 61.05 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.775 0.798 . . . . 55.670000000000002 110.423 -172.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -122.8 -26.6 4.43 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 115.788 1.773 . . . . 66.129999999999995 115.788 -165.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -117.17 -64.71 1.27 Allowed 'General case' 0 C--O 1.252 1.236 0 N-CA-C 119.599 3.185 . . . . 66.400000000000006 119.599 -174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.95 174.93 20.32 Favored Glycine 0 C--O 1.22 -0.758 0 N-CA-C 109.499 -1.44 . . . . 35.350000000000001 109.499 -164.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 61.5 p -104.21 166.94 10.08 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 107.516 -1.29 . . . . 38.119999999999997 107.516 -174.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.53 -42.45 99.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.585 -1.188 . . . . 47.280000000000001 109.938 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -55.69 -52.82 62.57 Favored 'General case' 0 C--O 1.266 1.935 0 C-N-CA 124.611 1.165 . . . . 47.299999999999997 109.13 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.13 78.19 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 114.141 1.163 . . . . 34.369999999999997 114.141 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.69 -44.83 77.72 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.923 -1.111 . . . . 27.84 112.432 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.2 90.77 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.564 -0.71 . . . . 29.530000000000001 109.821 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.63 94.72 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.816 -1.084 . . . . 37.75 111.822 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.32 61.94 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.517 0.932 . . . . 34.609999999999999 113.517 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -87.22 -14.55 40.74 Favored 'General case' 0 C--O 1.25 1.097 0 N-CA-C 114.641 1.348 . . . . 33.950000000000003 114.641 173.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.18 37.65 93.17 Favored Glycine 0 C--O 1.251 1.18 0 N-CA-C 109.686 -1.366 . . . . 44.140000000000001 109.686 -173.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 m -114.81 164.86 10.74 Favored 'Isoleucine or valine' 0 C--O 1.26 1.633 0 N-CA-C 116.128 1.899 . . . . 38.299999999999997 116.128 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -65.65 124.06 21.38 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 106.502 -1.666 . . . . 36.439999999999998 106.502 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.72 -39.28 5.03 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 115.964 1.839 . . . . 47.909999999999997 115.964 174.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.6 p -72.18 -17.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.709 0.631 . . . . 35.759999999999998 111.858 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.31 93.66 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.821 -0.751 . . . . 38.07 110.452 169.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . 1.125 ' HA ' ' HE2' ' B' ' 33' ' ' MSE . 3.0 mm -61.98 -49.59 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 C-N-CA 123.199 0.599 . . . . 40.43 111.911 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -52.2 -51.77 56.2 Favored 'General case' 0 N--CA 1.434 -1.25 0 O-C-N 125.628 1.83 . . . . 46.979999999999997 110.619 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -56.89 -40.2 75.81 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.407 0.892 . . . . 56.950000000000003 113.407 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' MSE . . . . . 1.125 ' HE2' ' HA ' ' B' ' 30' ' ' ILE . 4.3 mtm -66.46 -41.09 89.57 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 122.187 -0.321 . . . . 47.859999999999999 111.429 -179.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.35 -44.5 98.58 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 113.596 0.962 . . . . 51.299999999999997 113.596 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 -63.29 -47.97 80.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.678 0.622 . . . . 64.920000000000002 112.678 -176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.28 4.35 20.8 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.804 1.409 . . . . 53.68 114.804 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.46 41.45 55.83 Favored Glycine 0 N--CA 1.476 1.319 0 CA-C-O 121.564 0.536 . . . . 48.439999999999998 113.186 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -69.73 146.81 51.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 120.194 -0.602 . . . . 50.039999999999999 110.674 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -80.83 80.39 7.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 119.232 -0.987 . . . . 39.0 111.554 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -103.21 130.63 53.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 CA-C-O 121.161 0.505 . . . . 26.530000000000001 110.106 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -112.74 129.89 56.26 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.637 1.208 . . . . 38.100000000000001 108.421 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 43.2 mm -101.66 129.93 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 CA-C-N 115.21 -0.904 . . . . 27.84 110.126 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.8 m -109.36 127.25 54.19 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.208 -0.905 . . . . 29.760000000000002 112.532 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -111.51 113.71 26.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.274 1.83 . . . . 42.100000000000001 111.43 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.69 155.68 16.74 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 121.039 -0.264 . . . . 43.630000000000003 111.445 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.06 -26.31 64.9 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 125.658 1.849 . . . . 62.159999999999997 109.765 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -76.69 -0.7 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.341 0.867 . . . . 63.009999999999998 113.341 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.98 -27.05 22.4 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.681 1.032 . . . . 56.829999999999998 115.681 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 mtm105 -53.38 149.22 7.78 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-O 122.957 1.36 . . . . 65.069999999999993 114.395 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -133.39 131.3 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 N-CA-C 105.474 -2.047 . . . . 38.899999999999999 105.474 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -123.49 160.87 26.01 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.776 0.672 . . . . 37.289999999999999 111.592 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.86 145.59 42.39 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 106.395 -1.705 . . . . 24.850000000000001 106.395 -179.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -149.24 138.76 21.67 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 107.936 -1.135 . . . . 25.030000000000001 107.936 -178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' B' ' 56' ' ' ARG . 37.3 tt0 -91.72 129.26 37.72 Favored 'General case' 0 C--O 1.275 2.407 0 N-CA-C 106.174 -1.787 . . . . 44.840000000000003 106.174 168.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -97.7 111.63 27.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.974 0.892 . . . . 31.050000000000001 109.952 171.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' B' ' 54' ' ' GLU . 3.4 mtm180 -111.49 120.82 41.76 Favored Pre-proline 0 C--O 1.217 -0.623 0 CA-C-N 114.657 -1.156 . . . . 85.269999999999996 112.637 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.18 152.59 79.41 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 117.381 -1.28 . . . . 35.329999999999998 112.68 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mm -129.75 113.6 17.74 Favored Pre-proline 0 N--CA 1.443 -0.791 0 N-CA-C 106.004 -1.85 . . . . 52.68 106.004 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.05 166.01 84.4 Favored 'Cis proline' 0 C--O 1.253 1.268 0 C-N-CA 124.984 -0.84 . . . . 41.990000000000002 113.183 -0.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.697 -0.668 . . . . 60.18 111.309 176.394 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' BCT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 504' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 701' ' ' DTT . . . . . 0.659 ' H11' ' O ' ' B' ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 626' ' ' HOH . . . . . 0.487 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 727' ' ' HOH . . . . . 0.659 ' O ' ' H11' ' B' ' 701' ' ' DTT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 4.8 ptp . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 113.888 1.07 . . . . 58.12 113.888 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -139.54 133.16 30.43 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 105.427 -2.064 . . . . 63.26 105.427 -176.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -104.56 131.35 52.06 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 107.563 -1.273 . . . . 58.27 107.563 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.407 HG22 ' HB3' ' A' ' 8' ' ' LYS . 8.3 pt -134.98 135.86 23.89 Favored Pre-proline 0 CA--C 1.489 -1.375 0 C-N-CA 118.421 -1.312 . . . . 37.48 112.003 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.4 156.21 64.93 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 115.863 -2.291 . . . . 33.09 109.818 -175.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.35 -42.24 70.03 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.441 1.088 . . . . 28.77 111.185 -172.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.5 m -59.3 -43.46 92.62 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 108.482 -0.932 . . . . 44.67 108.482 -174.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' HG22 ' A' ' 4' ' ' ILE . 22.5 tttt -72.85 -39.48 66.47 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 112.446 -2.161 . . . . 60.12 112.202 -174.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -56.66 -43.92 80.84 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 108.285 -1.006 . . . . 46.05 108.285 173.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.78 -35.89 70.16 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 113.003 0.742 . . . . 29.09 113.003 -177.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.89 -44.26 96.58 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.716 1.376 . . . . 61.9 114.716 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -114.47 -16.69 11.89 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 115.793 1.775 . . . . 51.56 115.793 -163.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -128.45 -37.44 1.81 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 117.397 2.369 . . . . 39.46 117.397 -167.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.76 -169.12 21.08 Favored Glycine 0 C--O 1.264 2.007 0 C-N-CA 119.363 -1.399 . . . . 26.75 111.219 -168.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.5 p -127.07 167.12 16.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 114.841 -0.679 . . . . 24.85 110.056 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -60.76 -42.58 97.72 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 119.099 -1.04 . . . . 36.89 109.54 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -62.34 -51.39 67.84 Favored 'General case' 0 C--O 1.283 2.817 0 CA-C-N 114.996 -1.002 . . . . 32.13 113.382 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.07 89.68 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-N 115.172 -0.922 . . . . 25.23 111.72 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.425 -0.583 . . . . 24.24 109.425 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.98 66.39 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.426 1.079 . . . . 26.13 109.224 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.99 85.61 Favored 'General case' 0 C--O 1.203 -1.365 0 CA-C-N 118.516 0.598 . . . . 29.37 110.812 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -31.16 64.11 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 113.04 0.756 . . . . 31.12 113.04 -176.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.52 -25.59 57.37 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 125.344 1.653 . . . . 31.28 111.319 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.24 30.56 22.13 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 114.841 0.696 . . . . 32.72 114.841 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -123.06 165.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 108.761 -0.829 . . . . 29.71 108.761 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -73.51 150.11 41.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 119.441 -0.903 . . . . 39.16 108.77 173.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.41 -35.69 72.44 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.593 0.711 . . . . 35.84 111.595 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -48.2 -34.6 10.35 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.638 -1.164 . . . . 33.18 112.021 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.67 67.9 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 120.615 -0.434 . . . . 30.11 111.264 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.12 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 111.865 0.32 . . . . 29.86 111.865 172.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -61.32 -45.69 93.38 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.771 -0.825 . . . . 37.3 108.771 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 626' ' ' HOH . 11.1 tm0? -57.63 -41.67 81.81 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.148 -0.933 . . . . 54.02 112.674 177.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' MSE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 38' ' ' ARG . 34.9 mtt -64.0 -41.31 97.52 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.553 0.692 . . . . 39.26 111.953 178.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.97 -46.8 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.18 -1.044 . . . . 37.11 108.18 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -65.89 -22.45 66.52 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 116.971 2.211 . . . . 58.3 116.971 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.49 5.71 29.51 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.154 0.909 . . . . 43.71 111.166 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.12 72.32 Favored Glycine 0 N--CA 1.476 1.314 0 O-C-N 124.579 1.175 . . . . 38.9 113.686 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 33' ' ' MSE . 56.3 mtp180 -71.06 153.91 42.2 Favored 'General case' 0 CA--C 1.486 -1.515 0 C-N-CA 118.645 -1.222 . . . . 48.7 109.504 -169.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -92.1 94.12 9.07 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 107.669 -1.234 . . . . 27.09 107.669 -170.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.4 mm -116.93 128.61 74.29 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 CA-C-N 115.041 -0.981 . . . . 27.44 108.494 -172.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -112.91 129.93 56.3 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.131 0.972 . . . . 38.6 108.695 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.15 131.35 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 106.477 -1.675 . . . . 32.74 106.477 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.5 m -103.22 121.55 42.92 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.228 -1.397 . . . . 39.82 107.228 173.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.72 117.9 35.33 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 105.287 -2.116 . . . . 46.19 105.287 -175.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.35 162.28 13.9 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.397 -0.964 . . . . 44.16 108.397 -176.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.34 -29.33 70.38 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 113.51 0.93 . . . . 73.65 113.51 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -86.81 1.28 52.87 Favored 'General case' 0 C--O 1.249 1.05 0 O-C-N 124.23 0.956 . . . . 43.74 112.094 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.34 -11.75 63.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 115.381 0.912 . . . . 38.24 115.381 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -67.13 154.56 40.95 Favored 'General case' 0 C--O 1.197 -1.662 0 C-N-CA 118.784 -1.167 . . . . 35.78 108.085 176.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.3 148.25 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 107.189 -1.411 . . . . 32.28 107.189 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -128.91 156.59 43.47 Favored 'General case' 0 C--O 1.257 1.491 0 C-N-CA 118.128 -1.429 . . . . 41.66 107.508 162.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -121.72 143.11 49.55 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 115.046 -0.979 . . . . 26.1 108.791 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.45 146.13 47.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 124.479 1.112 . . . . 31.86 112.516 167.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -97.38 131.06 44.41 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 123.427 1.584 . . . . 34.85 108.137 169.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -93.24 108.8 20.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 CA-C-N 113.213 -1.812 . . . . 30.04 109.449 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -106.04 110.89 64.42 Favored Pre-proline 0 C--N 1.34 0.179 0 CA-C-O 118.574 -0.727 . . . . 82.22 110.6 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.98 143.65 99.62 Favored 'Trans proline' 0 CA--C 1.557 1.646 0 C-N-CA 121.749 1.633 . . . . 39.3 111.503 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.5 mm -124.46 122.36 25.88 Favored Pre-proline 0 C--O 1.26 1.64 0 N-CA-C 107.08 -1.452 . . . . 43.85 107.08 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 C--O 1.279 2.573 0 C-N-CA 131.121 1.717 . . . . 60.02 113.298 4.54 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 39.1 ttp . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.798 0.809 . . . . 53.67 113.085 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -122.07 138.37 54.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 75.78 110.611 173.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -121.88 139.51 53.54 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 120.242 -0.583 . . . . 43.12 111.469 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -153.94 128.29 4.65 Favored Pre-proline 0 C--O 1.262 1.718 0 CA-C-N 115.62 -0.718 . . . . 52.17 109.211 -158.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.31 149.92 87.21 Favored 'Trans proline' 0 CA--C 1.551 1.351 0 C-N-CA 116.523 -1.851 . . . . 33.94 111.941 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -52.34 -51.78 56.89 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.936 1.458 . . . . 32.46 114.936 -174.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . 0.56 ' HB2' ' O2 ' ' B' ' 701' ' ' DTT . 28.0 m -63.95 -41.63 97.54 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-O 117.924 -1.036 . . . . 50.62 111.847 -177.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -60.13 -46.77 88.53 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.346 0.521 . . . . 75.85 110.76 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -51.19 -54.61 23.86 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 120.034 -0.666 . . . . 49.5 111.297 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.37 -38.58 91.52 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.086 1.143 . . . . 33.53 114.086 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -73.49 -26.79 61.05 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.775 0.798 . . . . 55.67 110.423 -172.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -122.8 -26.6 4.43 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 115.788 1.773 . . . . 66.13 115.788 -165.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -117.17 -64.71 1.27 Allowed 'General case' 0 C--O 1.252 1.236 0 N-CA-C 119.599 3.185 . . . . 66.4 119.599 -174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.95 174.93 20.32 Favored Glycine 0 C--O 1.22 -0.758 0 N-CA-C 109.499 -1.44 . . . . 35.35 109.499 -164.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 61.5 p -104.21 166.94 10.08 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 107.516 -1.29 . . . . 38.12 107.516 -174.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.53 -42.45 99.53 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.585 -1.188 . . . . 47.28 109.938 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 43.6 t -55.69 -52.82 62.57 Favored 'General case' 0 C--O 1.266 1.935 0 C-N-CA 124.611 1.165 . . . . 47.3 109.13 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.13 78.19 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 114.141 1.163 . . . . 34.37 114.141 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.69 -44.83 77.72 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.923 -1.111 . . . . 27.84 112.432 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.2 90.77 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.564 -0.71 . . . . 29.53 109.821 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.63 94.72 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 114.816 -1.084 . . . . 37.75 111.822 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.32 61.94 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.517 0.932 . . . . 34.61 113.517 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -87.22 -14.55 40.74 Favored 'General case' 0 C--O 1.25 1.097 0 N-CA-C 114.641 1.348 . . . . 33.95 114.641 173.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.18 37.65 93.17 Favored Glycine 0 C--O 1.251 1.18 0 N-CA-C 109.686 -1.366 . . . . 44.14 109.686 -173.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 m -114.81 164.86 10.74 Favored 'Isoleucine or valine' 0 C--O 1.26 1.633 0 N-CA-C 116.128 1.899 . . . . 38.3 116.128 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -65.65 124.06 21.38 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 106.502 -1.666 . . . . 36.44 106.502 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.72 -39.28 5.03 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 115.964 1.839 . . . . 47.91 115.964 174.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.6 p -72.18 -17.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.709 0.631 . . . . 35.76 111.858 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.31 93.66 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.821 -0.751 . . . . 38.07 110.452 169.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . 1.125 ' HA ' ' HE2' ' B' ' 33' ' ' MSE . 3.0 mm -61.98 -49.59 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 C-N-CA 123.199 0.599 . . . . 40.43 111.911 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -52.2 -51.77 56.2 Favored 'General case' 0 N--CA 1.434 -1.25 0 O-C-N 125.628 1.83 . . . . 46.98 110.619 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -56.89 -40.2 75.81 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.407 0.892 . . . . 56.95 113.407 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' MSE . . . . . 1.125 ' HE2' ' HA ' ' B' ' 30' ' ' ILE . 4.3 mtm -66.46 -41.09 89.57 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 122.187 -0.321 . . . . 47.86 111.429 -179.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.35 -44.5 98.58 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 113.596 0.962 . . . . 51.3 113.596 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 -63.29 -47.97 80.06 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.678 0.622 . . . . 64.92 112.678 -176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.28 4.35 20.8 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.804 1.409 . . . . 53.68 114.804 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.46 41.45 55.83 Favored Glycine 0 N--CA 1.476 1.319 0 CA-C-O 121.564 0.536 . . . . 48.44 113.186 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -69.73 146.81 51.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 120.194 -0.602 . . . . 50.04 110.674 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -80.83 80.39 7.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 119.232 -0.987 . . . . 39.0 111.554 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -103.21 130.63 53.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 CA-C-O 121.161 0.505 . . . . 26.53 110.106 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -112.74 129.89 56.26 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.637 1.208 . . . . 38.1 108.421 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 43.2 mm -101.66 129.93 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 CA-C-N 115.21 -0.904 . . . . 27.84 110.126 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.8 m -109.36 127.25 54.19 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.208 -0.905 . . . . 29.76 112.532 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -111.51 113.71 26.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.274 1.83 . . . . 42.1 111.43 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.69 155.68 16.74 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 121.039 -0.264 . . . . 43.63 111.445 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.06 -26.31 64.9 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 125.658 1.849 . . . . 62.16 109.765 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 p30 -76.69 -0.7 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.341 0.867 . . . . 63.01 113.341 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.98 -27.05 22.4 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.681 1.032 . . . . 56.83 115.681 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 17.7 mtm105 -53.38 149.22 7.78 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-O 122.957 1.36 . . . . 65.07 114.395 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -133.39 131.3 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 N-CA-C 105.474 -2.047 . . . . 38.9 105.474 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -123.49 160.87 26.01 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.776 0.672 . . . . 37.29 111.592 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.86 145.59 42.39 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 106.395 -1.705 . . . . 24.85 106.395 -179.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -149.24 138.76 21.67 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 107.936 -1.135 . . . . 25.03 107.936 -178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' B' ' 56' ' ' ARG . 37.3 tt0 -91.72 129.26 37.72 Favored 'General case' 0 C--O 1.275 2.407 0 N-CA-C 106.174 -1.787 . . . . 44.84 106.174 168.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mm -97.7 111.63 27.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-O 121.974 0.892 . . . . 31.05 109.952 171.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' B' ' 54' ' ' GLU . 3.4 mtm180 -111.49 120.82 41.76 Favored Pre-proline 0 C--O 1.217 -0.623 0 CA-C-N 114.657 -1.156 . . . . 85.27 112.637 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.18 152.59 79.41 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 117.381 -1.28 . . . . 35.33 112.68 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mm -129.75 113.6 17.74 Favored Pre-proline 0 N--CA 1.443 -0.791 0 N-CA-C 106.004 -1.85 . . . . 52.68 106.004 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.05 166.01 84.4 Favored 'Cis proline' 0 C--O 1.253 1.268 0 C-N-CA 124.984 -0.84 . . . . 41.99 113.183 -0.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.697 -0.668 . . . . 60.18 111.309 176.394 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' BCT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 701' ' ' DTT . . . . . 0.659 ' H11' ' O ' ' B' ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 626' ' ' HOH . . . . . 0.487 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 727' ' ' HOH . . . . . 0.659 ' O ' ' H11' ' B' ' 701' ' ' DTT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_