data_6o8k_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6o8k _Structure_validation_residue.Date_analyzed 2020-03-27 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 ' 16' ' ' GLU . . . . . 0.948 ' OE1' ' CE ' ' A' ' 17' ' ' MET . 48.4 tp10 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 120.857 0.36 . . . . 140.5 110.879 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MET . . . . . 0.948 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 3.3 mtm -43.91 -27.74 0.38 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.991 0.517 . . . . 124.66 111.795 174.814 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.31 -37.6 13.94 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.624 1.17 . . . . 111.38 114.081 -171.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -59.81 -29.49 68.27 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 118.829 0.74 . . . . 100.72 110.322 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 20' ' ' ARG . 4.5 mmt85 -68.5 -46.76 68.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.618 -0.882 . . . . 140.86 108.618 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.45 75.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.654 1.221 . . . . 73.04 111.132 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . 0.887 ' NH2' ' O ' ' A' ' 301' ' ' HOH . 5.8 ttt180 -67.7 -44.48 77.64 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.441 -0.904 . . . . 110.67 111.438 174.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.14 90.02 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.692 -0.803 . . . . 55.03 111.079 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.33 88.94 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.22 -0.592 . . . . 44.26 110.604 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -65.84 -29.8 70.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 117.785 -1.566 . . . . 51.48 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.34 -39.13 85.78 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 117.966 -1.493 . . . . 69.74 111.135 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.48 -48.75 80.45 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.279 -0.969 . . . . 41.01 110.618 174.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.22 -43.91 92.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.586 -0.846 . . . . 41.45 109.99 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -50.87 -47.84 60.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.094 0.473 . . . . 81.49 110.219 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.4 -27.83 68.15 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.607 -1.237 . . . . 47.33 111.35 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.2 mt -88.37 -15.94 34.25 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.135 -1.426 . . . . 43.17 112.872 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.17 59.83 5.87 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.416 1.103 . . . . 65.32 111.064 -168.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' ND1' ' H12' ' A' ' 201' ' ' GOL . 87.7 m-70 -144.6 124.49 13.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 106.856 -1.535 . . . . 55.89 106.856 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.53 -55.59 15.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.085 0.866 . . . . 100.68 111.914 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.27 -48.31 70.99 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 119.351 -1.404 . . . . 40.66 112.372 -173.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -62.47 -40.89 98.11 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 122.256 -0.555 . . . . 50.94 110.752 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.37 -41.91 98.99 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 118.657 -1.217 . . . . 44.21 110.646 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.6 mtp -60.58 -44.56 96.07 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.357 -0.937 . . . . 96.65 111.284 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.48 -48.74 57.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 119.075 -1.05 . . . . 42.53 109.78 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.8 mmm -61.04 -38.91 87.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.676 -0.81 . . . . 42.13 110.656 -175.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 90.4 m -67.89 -42.08 81.76 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.044 -0.663 . . . . 51.77 111.336 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -57.59 -35.95 71.08 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.665 -1.214 . . . . 81.57 110.61 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.18 -22.17 55.65 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 119.669 -0.812 . . . . 44.41 112.365 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -26.55 61.96 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 119.918 -0.713 . . . . 51.57 111.878 176.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.9 p -92.72 9.21 35.98 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 112.074 0.398 . . . . 60.18 112.074 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.39 168.79 13.31 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-O 122.109 0.838 . . . . 43.26 112.113 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.1 142.44 56.68 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.181 -1.008 . . . . 68.55 110.773 -175.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.6 146.52 50.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.939 -1.028 . . . . 49.3 109.313 -176.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.3 p -82.05 158.39 23.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.325 -0.852 . . . . 65.51 109.422 174.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.28 -35.5 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 115.14 -0.936 . . . . 73.66 109.91 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -70.23 -46.32 64.71 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.172 -1.011 . . . . 93.22 110.805 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' O ' ' A' ' 302' ' ' HOH . 33.7 mt-10 -50.18 -51.54 42.99 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.07 -0.652 . . . . 94.34 110.334 173.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 87.5 mt -55.44 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 119.906 -0.717 . . . . 63.47 110.206 178.369 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -50.26 -40.33 47.68 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 122.017 -0.427 . . . . 118.05 111.95 -174.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 p -69.26 -42.9 74.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.334 -0.547 . . . . 84.85 111.716 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -73.95 -26.51 60.53 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 118.565 -1.254 . . . . 82.28 112.287 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 2.9 mm? -80.17 -32.13 38.77 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 113.011 0.745 . . . . 86.42 113.011 177.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.4 m 50.68 59.77 4.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.15 0.976 . . . . 100.6 110.03 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.3 p -148.58 158.57 44.22 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.034 -1.099 . . . . 100.34 108.034 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -44.1 139.07 2.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.209 -0.905 . . . . 125.93 112.317 -168.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -49.73 -45.91 49.74 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.005 -0.998 . . . . 113.49 111.342 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.84 80.27 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.116 -0.365 . . . . 94.33 111.695 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.97 46.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.074 0.464 . . . . 77.9 111.255 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.8 -43.63 92.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 C-N-CA 120.548 -0.461 . . . . 61.36 110.691 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -45.55 82.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 119.109 -1.036 . . . . 78.51 110.58 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.53 -36.32 73.66 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 119.653 -0.819 . . . . 64.41 111.18 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -62.94 -45.81 90.72 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.419 -0.512 . . . . 53.08 111.343 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -58.72 -46.65 86.87 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.717 -0.393 . . . . 51.11 111.114 173.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.93 86.59 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.37 0.605 . . . . 44.74 110.479 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -59.1 -50.98 71.97 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 121.854 -0.529 . . . . 73.49 110.358 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.24 -40.17 81.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 118.716 -1.194 . . . . 43.44 110.798 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -60.59 -50.16 74.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.862 0.363 . . . . 83.79 110.12 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.5 tp -52.49 -41.67 63.59 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.088 -0.645 . . . . 56.32 111.143 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -83.34 9.21 11.43 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 119.013 -1.075 . . . . 79.1 112.635 -176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.32 77.64 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 115.446 0.938 . . . . 46.73 115.446 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.87 -27.0 18.22 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.145 0.973 . . . . 59.24 112.305 -174.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.5 162.3 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 121.689 0.757 . . . . 49.51 109.192 175.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -134.93 162.66 31.78 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.201 -1.407 . . . . 63.46 107.201 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -134.34 157.74 45.59 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.212 0.53 . . . . 61.74 110.101 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -145.1 162.13 37.76 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.693 -1.225 . . . . 94.65 107.693 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -109.81 155.62 21.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.763 0.792 . . . . 127.4 111.693 -176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -151.9 113.14 4.29 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.044 -1.465 . . . . 109.61 107.044 168.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.57 -128.44 46.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 117.978 -2.058 . . . . 97.19 108.35 -171.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.29 26.29 10.38 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.599 0.759 . . . . 146.57 112.834 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -111.95 129.05 56.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.314 -0.995 . . . . 105.28 108.314 171.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.0 mm -95.9 133.67 36.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 108.121 -1.066 . . . . 74.02 108.121 171.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -113.71 121.1 43.07 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.836 0.854 . . . . 88.07 109.163 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -94.38 147.67 22.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 62.45 110.147 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -146.5 159.34 43.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.084 -0.71 . . . . 53.85 109.084 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.57 143.02 57.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.229 -0.896 . . . . 44.34 109.571 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t -117.87 -64.19 1.33 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.521 -0.471 . . . . 76.17 112.22 -173.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.97 126.91 92.14 Favored Pre-proline 0 C--N 1.317 -0.828 0 O-C-N 121.149 -0.97 . . . . 77.63 110.961 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -58.72 -51.07 7.75 Favored 'Trans proline' 0 C--O 1.246 0.902 0 N-CA-C 115.189 1.188 . . . . 80.06 115.189 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -58.72 -49.32 78.02 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 117.835 -1.079 . . . . 138.14 109.695 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.43 91.99 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.498 -0.881 . . . . 41.95 110.862 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.85 96.24 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.125 -1.03 . . . . 32.92 110.443 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -64.96 -43.9 91.15 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 118.514 -0.755 . . . . 141.01 109.391 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.44 -42.15 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 124.507 1.129 . . . . 38.64 110.492 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.53 -36.61 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.097 -0.501 . . . . 38.66 109.852 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.03 -44.13 97.36 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 117.721 -1.592 . . . . 58.02 110.139 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.6 m -62.39 -45.66 92.12 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 118.592 -1.243 . . . . 36.51 110.631 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.31 -42.22 86.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 41.03 110.696 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -63.28 -47.45 82.27 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.861 -1.149 . . . . 94.44 110.68 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -61.23 -49.84 75.48 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.432 -0.507 . . . . 72.72 111.662 -176.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.52 -34.15 77.59 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 117.339 -1.315 . . . . 120.29 112.009 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -94.66 16.3 15.97 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 118.024 -1.47 . . . . 99.42 112.247 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 26.1 m -116.77 -23.24 8.2 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.255 -1.831 . . . . 90.83 112.305 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.25 1.09 0 N-CA-C 114.027 1.121 . . . . 90.93 114.027 177.182 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' GOL . . . . . 0.535 ' H12' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.887 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.492 ' O ' ' OE1' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 0.948 ' OE1' ' CE ' ' A' ' 17' ' ' MET . 48.4 tp10 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 120.857 0.36 . . . . 140.5 110.879 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MET . . . . . 0.948 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 3.3 mtm -43.91 -27.74 0.38 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.991 0.517 . . . . 124.66 111.795 174.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.31 -37.6 13.94 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.624 1.17 . . . . 111.38 114.081 -171.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 16' ' ' GLU . 2.8 t -59.81 -29.49 68.27 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 118.829 0.74 . . . . 100.72 110.322 178.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 0.92 HH21 ' HG3' ' A' ' 20' ' ' ARG . 4.5 mmt85 -68.5 -46.76 68.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.618 -0.882 . . . . 140.86 108.618 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.45 75.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.654 1.221 . . . . 73.04 111.132 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . 0.887 ' NH2' ' O ' ' A' ' 301' ' ' HOH . 5.8 ttt180 -67.7 -44.48 77.64 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.441 -0.904 . . . . 110.67 111.438 174.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.14 90.02 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.692 -0.803 . . . . 55.03 111.079 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.33 88.94 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.22 -0.592 . . . . 44.26 110.604 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -65.84 -29.8 70.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 117.785 -1.566 . . . . 51.48 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.34 -39.13 85.78 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 117.966 -1.493 . . . . 69.74 111.135 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.48 -48.75 80.45 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.279 -0.969 . . . . 41.01 110.618 174.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.22 -43.91 92.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.586 -0.846 . . . . 41.45 109.99 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -50.87 -47.84 60.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.094 0.473 . . . . 81.49 110.219 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.4 -27.83 68.15 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.607 -1.237 . . . . 47.33 111.35 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.2 mt -88.37 -15.94 34.25 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.135 -1.426 . . . . 43.17 112.872 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.17 59.83 5.87 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.416 1.103 . . . . 65.32 111.064 -168.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' ND1' ' H11' ' A' ' 201' ' ' GOL . 87.7 m-70 -144.6 124.49 13.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 106.856 -1.535 . . . . 55.89 106.856 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.53 -55.59 15.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.085 0.866 . . . . 100.68 111.914 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.27 -48.31 70.99 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 119.351 -1.404 . . . . 40.66 112.372 -173.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -62.47 -40.89 98.11 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 122.256 -0.555 . . . . 50.94 110.752 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.37 -41.91 98.99 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 118.657 -1.217 . . . . 44.21 110.646 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.6 mtp -60.58 -44.56 96.07 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.357 -0.937 . . . . 96.65 111.284 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.48 -48.74 57.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 119.075 -1.05 . . . . 42.53 109.78 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.8 mmm -61.04 -38.91 87.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.676 -0.81 . . . . 42.13 110.656 -175.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 90.4 m -67.89 -42.08 81.76 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.044 -0.663 . . . . 51.77 111.336 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . 0.59 ' CE1' ' HD3' ' A' ' 56' ' ' ARG . 17.2 m-85 -57.59 -35.95 71.08 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.665 -1.214 . . . . 81.57 110.61 174.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.18 -22.17 55.65 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 119.669 -0.812 . . . . 44.41 112.365 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -26.55 61.96 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 119.918 -0.713 . . . . 51.57 111.878 176.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.9 p -92.72 9.21 35.98 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 112.074 0.398 . . . . 60.18 112.074 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.39 168.79 13.31 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-O 122.109 0.838 . . . . 43.26 112.113 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.1 142.44 56.68 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.181 -1.008 . . . . 68.55 110.773 -175.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.6 146.52 50.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.939 -1.028 . . . . 49.3 109.313 -176.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.3 p -82.05 158.39 23.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.325 -0.852 . . . . 65.51 109.422 174.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.28 -35.5 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 115.14 -0.936 . . . . 73.66 109.91 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 55' ' ' THR . 1.6 p -70.23 -46.32 64.71 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.172 -1.011 . . . . 93.22 110.805 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' O ' ' A' ' 302' ' ' HOH . 33.7 mt-10 -50.18 -51.54 42.99 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.07 -0.652 . . . . 94.34 110.334 173.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 57' ' ' LEU . 87.5 mt -55.44 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 119.906 -0.717 . . . . 63.47 110.206 178.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -50.26 -40.33 47.68 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 122.017 -0.427 . . . . 118.05 111.95 -174.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 51' ' ' THR . 79.3 p -69.26 -42.9 74.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.334 -0.547 . . . . 84.85 111.716 -179.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.59 ' HD3' ' CE1' ' A' ' 42' ' ' TYR . 83.4 mtt-85 -73.95 -26.51 60.53 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 118.565 -1.254 . . . . 82.28 112.287 -178.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . 0.583 HD22 ' O ' ' A' ' 53' ' ' LEU . 2.9 mm? -80.17 -32.13 38.77 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 113.011 0.745 . . . . 86.42 113.011 177.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.4 m 50.68 59.77 4.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.15 0.976 . . . . 100.6 110.03 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 57' ' ' LEU . 34.3 p -148.58 158.57 44.22 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.034 -1.099 . . . . 100.34 108.034 176.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -44.1 139.07 2.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.209 -0.905 . . . . 125.93 112.317 -168.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -49.73 -45.91 49.74 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.005 -0.998 . . . . 113.49 111.342 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.84 80.27 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.116 -0.365 . . . . 94.33 111.695 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.97 46.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.074 0.464 . . . . 77.9 111.255 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.8 -43.63 92.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 C-N-CA 120.548 -0.461 . . . . 61.36 110.691 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -45.55 82.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 119.109 -1.036 . . . . 78.51 110.58 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.53 -36.32 73.66 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 119.653 -0.819 . . . . 64.41 111.18 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -62.94 -45.81 90.72 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.419 -0.512 . . . . 53.08 111.343 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -58.72 -46.65 86.87 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.717 -0.393 . . . . 51.11 111.114 173.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.93 86.59 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.37 0.605 . . . . 44.74 110.479 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -59.1 -50.98 71.97 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 121.854 -0.529 . . . . 73.49 110.358 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.24 -40.17 81.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 118.716 -1.194 . . . . 43.44 110.798 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -60.59 -50.16 74.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.862 0.363 . . . . 83.79 110.12 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.5 tp -52.49 -41.67 63.59 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.088 -0.645 . . . . 56.32 111.143 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -83.34 9.21 11.43 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 119.013 -1.075 . . . . 79.1 112.635 -176.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.32 77.64 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 115.446 0.938 . . . . 46.73 115.446 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.87 -27.0 18.22 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.145 0.973 . . . . 59.24 112.305 -174.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.5 162.3 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 121.689 0.757 . . . . 49.51 109.192 175.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -134.93 162.66 31.78 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.201 -1.407 . . . . 63.46 107.201 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -134.34 157.74 45.59 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.212 0.53 . . . . 61.74 110.101 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -145.1 162.13 37.76 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.693 -1.225 . . . . 94.65 107.693 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.425 HH11 ' HB3' ' A' ' 81' ' ' ARG . 9.4 ttm105 -109.81 155.62 21.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.763 0.792 . . . . 127.4 111.693 -176.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 81' ' ' ARG . 1.3 tt0 -151.9 113.14 4.29 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.044 -1.465 . . . . 109.61 107.044 168.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.57 -128.44 46.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 117.978 -2.058 . . . . 97.19 108.35 -171.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.29 26.29 10.38 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.599 0.759 . . . . 146.57 112.834 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -111.95 129.05 56.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.314 -0.995 . . . . 105.28 108.314 171.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.0 mm -95.9 133.67 36.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 108.121 -1.066 . . . . 74.02 108.121 171.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -113.71 121.1 43.07 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.836 0.854 . . . . 88.07 109.163 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -94.38 147.67 22.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 62.45 110.147 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -146.5 159.34 43.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.084 -0.71 . . . . 53.85 109.084 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.57 143.02 57.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.229 -0.896 . . . . 44.34 109.571 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t -117.87 -64.19 1.33 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.521 -0.471 . . . . 76.17 112.22 -173.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.97 126.91 92.14 Favored Pre-proline 0 C--N 1.317 -0.828 0 O-C-N 121.149 -0.97 . . . . 77.63 110.961 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -58.72 -51.07 7.75 Favored 'Trans proline' 0 C--O 1.246 0.902 0 N-CA-C 115.189 1.188 . . . . 80.06 115.189 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -58.72 -49.32 78.02 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 117.835 -1.079 . . . . 138.14 109.695 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.43 91.99 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.498 -0.881 . . . . 41.95 110.862 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.85 96.24 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.125 -1.03 . . . . 32.92 110.443 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -64.96 -43.9 91.15 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 118.514 -0.755 . . . . 141.01 109.391 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.44 -42.15 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 124.507 1.129 . . . . 38.64 110.492 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.53 -36.61 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.097 -0.501 . . . . 38.66 109.852 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.03 -44.13 97.36 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 117.721 -1.592 . . . . 58.02 110.139 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.6 m -62.39 -45.66 92.12 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 118.592 -1.243 . . . . 36.51 110.631 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.31 -42.22 86.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 41.03 110.696 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -63.28 -47.45 82.27 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.861 -1.149 . . . . 94.44 110.68 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -61.23 -49.84 75.48 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.432 -0.507 . . . . 72.72 111.662 -176.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.52 -34.15 77.59 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 117.339 -1.315 . . . . 120.29 112.009 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -94.66 16.3 15.97 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 118.024 -1.47 . . . . 99.42 112.247 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 26.1 m -116.77 -23.24 8.2 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.255 -1.831 . . . . 90.83 112.305 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.25 1.09 0 N-CA-C 114.027 1.121 . . . . 90.93 114.027 177.182 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' GOL . . . . . 0.535 ' H11' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.887 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.492 ' O ' ' OE1' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.948 ' OE1' ' CE ' ' A' ' 17' ' ' MET . 48.4 tp10 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 120.857 0.36 . . . . 140.5 110.879 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MET . . . . . 0.948 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 3.3 mtm -43.91 -27.74 0.38 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 122.991 0.517 . . . . 124.66 111.795 174.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.31 -37.6 13.94 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.624 1.17 . . . . 111.38 114.081 -171.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 16' ' ' GLU . 2.8 t -59.81 -29.49 68.27 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 118.829 0.74 . . . . 100.72 110.322 178.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.92 HH21 ' HG3' ' A' ' 20' ' ' ARG . 4.5 mmt85 -68.5 -46.76 68.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.618 -0.882 . . . . 140.86 108.618 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -33.45 75.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.654 1.221 . . . . 73.04 111.132 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.887 ' NH2' ' O ' ' A' ' 301' ' ' HOH . 5.8 ttt180 -67.7 -44.48 77.64 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.441 -0.904 . . . . 110.67 111.438 174.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.14 90.02 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.692 -0.803 . . . . 55.03 111.079 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.33 88.94 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.22 -0.592 . . . . 44.26 110.604 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -65.84 -29.8 70.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 117.785 -1.566 . . . . 51.48 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -67.34 -39.13 85.78 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 117.966 -1.493 . . . . 69.74 111.135 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.48 -48.75 80.45 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.279 -0.969 . . . . 41.01 110.618 174.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.22 -43.91 92.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.586 -0.846 . . . . 41.45 109.99 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -50.87 -47.84 60.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.094 0.473 . . . . 81.49 110.219 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.4 -27.83 68.15 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.607 -1.237 . . . . 47.33 111.35 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.2 mt -88.37 -15.94 34.25 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.135 -1.426 . . . . 43.17 112.872 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.17 59.83 5.87 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.416 1.103 . . . . 65.32 111.064 -168.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' ND1' ' H11' ' A' ' 201' ' ' GOL . 87.7 m-70 -144.6 124.49 13.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 106.856 -1.535 . . . . 55.89 106.856 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.53 -55.59 15.42 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.085 0.866 . . . . 100.68 111.914 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.27 -48.31 70.99 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 119.351 -1.404 . . . . 40.66 112.372 -173.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -62.47 -40.89 98.11 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 122.256 -0.555 . . . . 50.94 110.752 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.37 -41.91 98.99 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 118.657 -1.217 . . . . 44.21 110.646 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.6 mtp -60.58 -44.56 96.07 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.357 -0.937 . . . . 96.65 111.284 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.48 -48.74 57.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 C-N-CA 119.075 -1.05 . . . . 42.53 109.78 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.8 mmm -61.04 -38.91 87.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 119.676 -0.81 . . . . 42.13 110.656 -175.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 90.4 m -67.89 -42.08 81.76 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.044 -0.663 . . . . 51.77 111.336 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.59 ' CE1' ' HD3' ' A' ' 56' ' ' ARG . 17.2 m-85 -57.59 -35.95 71.08 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.665 -1.214 . . . . 81.57 110.61 174.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.18 -22.17 55.65 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 119.669 -0.812 . . . . 44.41 112.365 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -26.55 61.96 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 119.918 -0.713 . . . . 51.57 111.878 176.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.9 p -92.72 9.21 35.98 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 112.074 0.398 . . . . 60.18 112.074 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.39 168.79 13.31 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-O 122.109 0.838 . . . . 43.26 112.113 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.1 142.44 56.68 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.181 -1.008 . . . . 68.55 110.773 -175.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.6 146.52 50.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.939 -1.028 . . . . 49.3 109.313 -176.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.3 p -82.05 158.39 23.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.325 -0.852 . . . . 65.51 109.422 174.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.28 -35.5 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 115.14 -0.936 . . . . 73.66 109.91 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 55' ' ' THR . 1.6 p -70.23 -46.32 64.71 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.172 -1.011 . . . . 93.22 110.805 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE1' ' O ' ' A' ' 302' ' ' HOH . 33.7 mt-10 -50.18 -51.54 42.99 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.07 -0.652 . . . . 94.34 110.334 173.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 57' ' ' LEU . 87.5 mt -55.44 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 119.906 -0.717 . . . . 63.47 110.206 178.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -50.26 -40.33 47.68 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 122.017 -0.427 . . . . 118.05 111.95 -174.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 51' ' ' THR . 79.3 p -69.26 -42.9 74.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.334 -0.547 . . . . 84.85 111.716 -179.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.59 ' HD3' ' CE1' ' A' ' 42' ' ' TYR . 83.4 mtt-85 -73.95 -26.51 60.53 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 118.565 -1.254 . . . . 82.28 112.287 -178.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.583 HD22 ' O ' ' A' ' 53' ' ' LEU . 2.9 mm? -80.17 -32.13 38.77 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 113.011 0.745 . . . . 86.42 113.011 177.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.4 m 50.68 59.77 4.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.15 0.976 . . . . 100.6 110.03 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 57' ' ' LEU . 34.3 p -148.58 158.57 44.22 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.034 -1.099 . . . . 100.34 108.034 176.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -44.1 139.07 2.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.209 -0.905 . . . . 125.93 112.317 -168.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -49.73 -45.91 49.74 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.005 -0.998 . . . . 113.49 111.342 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.84 80.27 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.116 -0.365 . . . . 94.33 111.695 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.97 46.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.074 0.464 . . . . 77.9 111.255 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.8 -43.63 92.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 C-N-CA 120.548 -0.461 . . . . 61.36 110.691 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -45.55 82.36 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 119.109 -1.036 . . . . 78.51 110.58 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.53 -36.32 73.66 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 119.653 -0.819 . . . . 64.41 111.18 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -62.94 -45.81 90.72 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.419 -0.512 . . . . 53.08 111.343 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.0 mt -58.72 -46.65 86.87 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.717 -0.393 . . . . 51.11 111.114 173.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.93 86.59 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.37 0.605 . . . . 44.74 110.479 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -59.1 -50.98 71.97 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 121.854 -0.529 . . . . 73.49 110.358 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.24 -40.17 81.02 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 118.716 -1.194 . . . . 43.44 110.798 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.5 ttm-85 -60.59 -50.16 74.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.862 0.363 . . . . 83.79 110.12 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.5 tp -52.49 -41.67 63.59 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.088 -0.645 . . . . 56.32 111.143 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -83.34 9.21 11.43 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 119.013 -1.075 . . . . 79.1 112.635 -176.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.32 77.64 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 115.446 0.938 . . . . 46.73 115.446 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.0 mt -91.87 -27.0 18.22 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.145 0.973 . . . . 59.24 112.305 -174.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 m -135.5 162.3 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 121.689 0.757 . . . . 49.51 109.192 175.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -134.93 162.66 31.78 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.201 -1.407 . . . . 63.46 107.201 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -134.34 157.74 45.59 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.212 0.53 . . . . 61.74 110.101 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -145.1 162.13 37.76 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.693 -1.225 . . . . 94.65 107.693 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.425 HH11 ' HB3' ' A' ' 81' ' ' ARG . 9.4 ttm105 -109.81 155.62 21.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.763 0.792 . . . . 127.4 111.693 -176.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 81' ' ' ARG . 1.3 tt0 -151.9 113.14 4.29 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.044 -1.465 . . . . 109.61 107.044 168.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.57 -128.44 46.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 117.978 -2.058 . . . . 97.19 108.35 -171.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.29 26.29 10.38 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.599 0.759 . . . . 146.57 112.834 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -111.95 129.05 56.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.314 -0.995 . . . . 105.28 108.314 171.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.0 mm -95.9 133.67 36.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 108.121 -1.066 . . . . 74.02 108.121 171.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -113.71 121.1 43.07 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.836 0.854 . . . . 88.07 109.163 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -94.38 147.67 22.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 62.45 110.147 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -146.5 159.34 43.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.084 -0.71 . . . . 53.85 109.084 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.57 143.02 57.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.229 -0.896 . . . . 44.34 109.571 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.8 t -117.87 -64.19 1.33 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.521 -0.471 . . . . 76.17 112.22 -173.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.97 126.91 92.14 Favored Pre-proline 0 C--N 1.317 -0.828 0 O-C-N 121.149 -0.97 . . . . 77.63 110.961 -175.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -58.72 -51.07 7.75 Favored 'Trans proline' 0 C--O 1.246 0.902 0 N-CA-C 115.189 1.188 . . . . 80.06 115.189 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -58.72 -49.32 78.02 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 117.835 -1.079 . . . . 138.14 109.695 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.43 91.99 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.498 -0.881 . . . . 41.95 110.862 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.85 96.24 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.125 -1.03 . . . . 32.92 110.443 -176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -64.96 -43.9 91.15 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 118.514 -0.755 . . . . 141.01 109.391 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.44 -42.15 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 124.507 1.129 . . . . 38.64 110.492 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.53 -36.61 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.097 -0.501 . . . . 38.66 109.852 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.03 -44.13 97.36 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 117.721 -1.592 . . . . 58.02 110.139 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.6 m -62.39 -45.66 92.12 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 118.592 -1.243 . . . . 36.51 110.631 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.31 -42.22 86.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 41.03 110.696 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -63.28 -47.45 82.27 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 120.861 -1.149 . . . . 94.44 110.68 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -61.23 -49.84 75.48 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.432 -0.507 . . . . 72.72 111.662 -176.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.52 -34.15 77.59 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 117.339 -1.315 . . . . 120.29 112.009 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -94.66 16.3 15.97 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 118.024 -1.47 . . . . 99.42 112.247 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 26.1 m -116.77 -23.24 8.2 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.255 -1.831 . . . . 90.83 112.305 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.25 1.09 0 N-CA-C 114.027 1.121 . . . . 90.93 114.027 177.182 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' GOL . . . . . 0.535 ' H11' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.887 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.492 ' O ' ' OE1' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_