data_3wrp_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 3wrp _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 ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.245 0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.65 61.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 112.317 -2.219 . . . . 0.0 107.228 171.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.63 -49.5 77.5 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.39 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.19 36.02 1.25 Allowed 'General case' 0 C--O 1.248 0.977 0 CA-C-O 117.122 -1.418 . . . . 0.0 113.451 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.87 -28.42 66.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 119.105 0.866 . . . . 0.0 110.537 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . 0.675 ' OE2' ' O ' ' A' ' 141' ' ' HOH . 26.3 tp10 -72.15 -42.63 65.75 Favored 'General case' 0 C--O 1.255 1.376 0 C-N-CA 119.242 -0.983 . . . . 0.0 111.591 -178.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.49 -47.38 84.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -27.21 68.25 Favored 'General case' 0 C--O 1.262 1.751 0 O-C-N 127.646 3.091 . . . . 0.0 113.03 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -75.61 -42.5 51.66 Favored 'General case' 0 C--N 1.32 -0.68 1 CA-C-O 129.561 4.505 . . . . 0.0 111.659 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . 1.092 ' NE2' ' O ' ' A' ' 173' ' ' HOH . 3.2 mm-40 -61.89 -38.55 88.77 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 116.577 -3.827 . . . . 0.0 112.953 174.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 159' ' ' HOH . 96.4 mt-10 -72.24 -36.75 69.16 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 127.035 2.709 . . . . 0.0 109.06 -174.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -65.94 -45.18 82.75 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 111.457 -2.61 . . . . 0.0 110.184 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -28.93 70.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 119.525 -1.984 . . . . 0.0 112.317 -176.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.89 -55.55 31.69 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 142' ' ' HOH . 35.8 t80 -53.43 -48.05 69.1 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 124.966 1.416 . . . . 0.0 112.236 176.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.17 -31.12 47.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 O-C-N 118.533 -2.604 . . . . 0.0 113.927 178.186 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.25 -28.47 38.45 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 124.626 1.203 . . . . 0.0 110.583 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.38 -49.19 61.87 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 127.587 3.054 . . . . 0.0 109.601 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.92 -49.69 76.45 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 127.081 2.738 . . . . 0.0 108.709 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -39.66 -54.08 2.08 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.044 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -69.13 -34.35 74.9 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 125.252 1.595 . . . . 0.0 109.995 -171.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.85 86.11 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 125.437 1.711 . . . . 0.0 111.15 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.64 -38.17 89.22 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.921 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.01 -13.0 60.79 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -101.58 -11.4 19.27 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 123.936 0.773 . . . . 0.0 111.031 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.78 35.09 2.44 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.595 1.558 . . . . 0.0 109.119 -173.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.52 18.84 16.55 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.522 1.153 . . . . 0.0 112.046 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -73.1 -34.56 66.25 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.501 -173.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 1.2 mm? -65.38 -52.59 44.8 Favored Pre-proline 0 N--CA 1.482 1.125 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 178.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 36' ' ' LEU . 17.7 Cg_exo -59.46 -39.15 78.76 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 O-C-N 124.375 1.724 . . . . 0.0 111.881 175.707 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.51 -43.05 95.3 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 123.658 1.694 . . . . 0.0 108.987 -176.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -37.84 84.54 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 113.249 -1.796 . . . . 0.0 110.408 -175.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.41 -30.23 69.09 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 125.922 2.773 . . . . 0.0 110.604 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 tp -73.01 -48.17 38.62 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 113.01 -1.904 . . . . 0.0 109.854 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -76.64 -33.19 58.35 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -174.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 143' ' ' HOH . 11.9 mt -116.39 154.62 29.95 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.762 -1.836 . . . . 0.0 113.181 -171.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.12 165.28 37.5 Favored Pre-proline 0 C--N 1.307 -1.272 0 O-C-N 126.824 2.577 . . . . 0.0 107.555 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -62.18 -46.88 11.41 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 N-CA-C 105.791 -2.427 . . . . 0.0 105.791 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -48.21 -49.76 31.73 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 111.358 -2.655 . . . . 0.0 110.326 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.28 -43.77 80.97 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.523 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -65.19 -34.2 77.8 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 118.293 -0.861 . . . . 0.0 109.97 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.93 -46.78 86.17 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.889 1.368 . . . . 0.0 109.758 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.41 69.96 Favored 'General case' 0 C--O 1.266 1.932 0 O-C-N 126.004 2.065 . . . . 0.0 110.718 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.91 -41.53 71.08 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 118.507 0.594 . . . . 0.0 110.305 -178.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.11 63.3 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 116.411 -2.804 . . . . 0.0 108.047 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.2 m -64.3 -31.51 72.74 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 114.482 -2.675 . . . . 0.0 112.064 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -66.19 -29.6 69.91 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 120.486 1.494 . . . . 0.0 113.406 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.52 -43.42 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 120.078 -1.639 . . . . 0.0 108.562 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -39.17 83.24 Favored 'General case' 0 C--O 1.26 1.636 0 O-C-N 129.096 3.997 . . . . 0.0 112.906 -177.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.42 -49.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 116.511 -1.709 . . . . 0.0 110.789 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.85 -42.09 94.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 O-C-N 125.208 1.568 . . . . 0.0 111.592 -177.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.56 -43.84 89.52 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 126.02 2.075 . . . . 0.0 109.074 177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . 0.701 ' OE2' ' SD ' ' A' ' 66' ' ' MET . 11.9 mt-10 -76.17 -32.23 58.93 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.511 1.757 . . . . 0.0 111.74 -175.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.16 -34.08 72.56 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.84 -30.87 67.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 116.667 -1.635 . . . . 0.0 107.54 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -71.5 -35.38 70.75 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 128.73 3.769 . . . . 0.0 112.922 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 126' ' ' HOH . . . 66.64 7.64 42.31 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-O 117.555 -1.692 . . . . 0.0 115.644 -178.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.14 -35.1 31.97 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 116.357 -1.782 . . . . 0.0 115.295 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' MET . . . . . 0.72 ' SD ' ' O ' ' A' ' 181' ' ' HOH . 8.1 mtp -96.29 147.85 23.36 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 125.777 1.923 . . . . 0.0 112.07 -176.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.87 155.83 22.73 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 125.355 1.462 . . . . 0.0 108.032 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -47.88 -44.66 29.62 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 112.258 -2.246 . . . . 0.0 109.96 -176.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.51 -34.32 63.02 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . 0.864 ' OE2' ' O ' ' A' ' 168' ' ' HOH . 53.2 mt-10 -62.5 -37.32 85.55 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . 0.637 ' CD1' ' CB ' ' A' ' 66' ' ' MET . 2.3 mp -61.38 -37.71 84.38 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 111.752 -2.477 . . . . 0.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -70.89 -41.29 71.51 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 128.107 3.813 . . . . 0.0 112.766 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.48 -52.1 36.05 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 112.96 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -81.21 -21.77 39.31 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 116.693 -2.003 . . . . 0.0 114.031 -175.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.58 -22.93 12.34 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.674 -1.211 . . . . 0.0 109.237 -174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . 0.791 ' O ' ' O ' ' A' ' 148' ' ' HOH . . . 74.26 25.33 71.09 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.775 -0.578 . . . . 0.0 111.71 177.368 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.54 133.26 45.24 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 114.876 -0.662 . . . . 0.0 109.941 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 144.97 38.18 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-O 122.378 0.988 . . . . 0.0 110.676 177.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -44.96 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 113.574 -1.313 . . . . 0.0 112.618 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.17 68.34 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 120.049 1.295 . . . . 0.0 112.813 -179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 m -70.87 -32.82 69.93 Favored 'General case' 0 C--O 1.261 1.693 0 CA-C-O 123.517 1.627 . . . . 0.0 110.928 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.7 -45.4 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 113.558 -1.656 . . . . 0.0 109.209 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.9 m -63.62 -43.82 95.76 Favored 'General case' 0 C--N 1.296 -1.725 1 O-C-N 129.364 4.165 . . . . 0.0 111.426 -177.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -36.43 73.99 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.586 175.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.6 79.41 Favored Glycine 0 N--CA 1.486 2.007 0 N-CA-C 107.24 -2.344 . . . . 0.0 107.24 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 t -67.21 -49.88 62.89 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 116.466 -1.73 . . . . 0.0 110.031 176.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -61.11 -42.35 98.37 Favored 'General case' 0 C--O 1.26 1.64 1 O-C-N 129.252 4.095 . . . . 0.0 113.819 -178.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . 0.599 ' O ' ' O ' ' A' ' 134' ' ' HOH 0.278 99.0 p -71.46 -29.86 65.35 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 124.763 2.22 . . . . 0.0 113.596 -174.689 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -68.75 -38.21 79.96 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.882 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -66.43 -38.18 86.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 124.814 1.321 . . . . 0.0 109.69 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -10.11 59.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.069 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . 0.78 ' CB ' ' O ' ' A' ' 150' ' ' HOH . . . -69.57 140.6 89.78 Favored Pre-proline 0 N--CA 1.481 1.088 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.053 -177.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -60.3 139.14 85.33 Favored 'Trans proline' 0 C--O 1.258 1.512 0 O-C-N 125.452 2.29 . . . . 0.0 110.444 174.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CB ' ' NH2' ' A' ' 97' ' ' ARG . 2.8 p -48.15 -38.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 122.239 1.018 . . . . 0.0 112.487 -176.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.66 -34.05 75.04 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.851 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.85 -51.2 19.69 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 125.81 1.944 . . . . 0.0 108.006 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . 0.601 ' NE ' ' O ' ' A' ' 129' ' ' HOH . 5.8 mtp180 -49.2 -46.64 45.97 Favored 'General case' 0 C--O 1.26 1.64 0 CA-C-O 123.791 1.758 . . . . 0.0 112.273 178.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.4 -48.55 81.27 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 119.338 -2.101 . . . . 0.0 109.754 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -60.07 -49.53 77.27 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.064 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.32 -37.27 80.08 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.159 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 105' ' ' LEU . 39.3 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 124.208 1.956 . . . . 0.0 111.108 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . 0.615 ' O ' ' CB ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -58.57 -53.9 53.13 Favored 'General case' 0 C--N 1.296 -1.744 1 C-N-CA 131.961 4.104 . . . . 0.0 109.371 -179.972 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . 0.457 ' O ' ' CA ' ' A' ' 107' ' ' SER 0.288 59.3 t -80.45 -53.73 12.09 Favored 'Isoleucine or valine' 0 C--O 1.264 1.832 0 CA-C-O 115.568 -2.158 . . . . 0.0 113.972 -177.477 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.0 mt -76.75 -20.58 56.33 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 121.9 2.136 . . . . 0.0 115.451 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -146.78 60.86 1.2 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 123.84 1.781 . . . . 0.0 107.202 -174.786 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 102' ' ' GLU . 44.1 mttt 168.89 -7.67 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 126.271 2.939 . . . . 0.0 105.028 -179.736 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SER . . . . . 0.457 ' CA ' ' O ' ' A' ' 103' ' ' VAL . 6.6 m 34.98 139.79 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 131.546 3.938 . . . . 0.0 119.244 173.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' ' O ' ' A' ' 171' ' ' HOH 0.258 1.4 t0 . . . . . 0 C--O 1.255 1.386 0 C-N-CA 130.08 3.352 . . . . 0.0 107.478 173.329 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . 0.411 ' O ' ' CA ' ' A' ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . 0.601 ' O ' ' NE ' ' A' ' 97' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . 0.599 ' O ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . 0.675 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . 0.52 ' O ' ' CZ ' ' A' ' 22' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . 0.499 ' O ' ' CD1' ' A' ' 43' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . 0.791 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . 0.78 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . 0.753 ' O ' ' OE1' ' A' ' 18' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.864 ' O ' ' OE2' ' A' ' 70' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . 0.639 ' O ' ' O ' ' A' ' 108' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . 1.092 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . 0.72 ' O ' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' A' ' 11' ' ' MET . 28.0 t . . . . . 0 C--O 1.245 0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.65 61.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 112.317 -2.219 . . . . 0.0 107.228 171.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.63 -49.5 77.5 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.39 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . 0.438 ' HB2' ' OG ' ' A' ' 8' ' ' SER . 30.0 mmm -95.19 36.02 1.25 Allowed 'General case' 0 C--O 1.248 0.977 0 CA-C-O 117.122 -1.418 . . . . 0.0 113.451 179.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.87 -28.42 66.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 119.105 0.866 . . . . 0.0 110.537 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.675 ' OE2' ' O ' ' A' ' 141' ' ' HOH . 26.3 tp10 -72.15 -42.63 65.75 Favored 'General case' 0 C--O 1.255 1.376 0 C-N-CA 119.242 -0.983 . . . . 0.0 111.591 -178.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -62.49 -47.38 84.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.767 ' HA ' ' O ' ' A' ' 159' ' ' HOH . 0.0 OUTLIER -61.18 -27.21 68.25 Favored 'General case' 0 C--O 1.262 1.751 0 O-C-N 127.646 3.091 . . . . 0.0 113.03 -179.444 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 11.4 t-80 -75.61 -42.5 51.66 Favored 'General case' 0 C--N 1.32 -0.68 1 CA-C-O 129.561 4.505 . . . . 0.0 111.659 176.644 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . 1.092 ' NE2' ' O ' ' A' ' 173' ' ' HOH . 3.2 mm-40 -61.89 -38.55 88.77 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 116.577 -3.827 . . . . 0.0 112.953 174.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 159' ' ' HOH . 96.4 mt-10 -72.24 -36.75 69.16 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 127.035 2.709 . . . . 0.0 109.06 -174.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -65.94 -45.18 82.75 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 111.457 -2.61 . . . . 0.0 110.184 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 33.3 mt -63.45 -28.93 70.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 119.525 -1.984 . . . . 0.0 112.317 -176.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.89 -55.55 31.69 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . 0.658 ' HZ ' ' O ' ' A' ' 142' ' ' HOH . 35.8 t80 -53.43 -48.05 69.1 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 124.966 1.416 . . . . 0.0 112.236 176.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.17 -31.12 47.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 O-C-N 118.533 -2.604 . . . . 0.0 113.927 178.186 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.25 -28.47 38.45 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 124.626 1.203 . . . . 0.0 110.583 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.38 -49.19 61.87 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 127.587 3.054 . . . . 0.0 109.601 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.92 -49.69 76.45 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 127.081 2.738 . . . . 0.0 108.709 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HE2' ' O ' ' A' ' 163' ' ' HOH . 2.1 ttmp? -39.66 -54.08 2.08 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.044 173.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -69.13 -34.35 74.9 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 125.252 1.595 . . . . 0.0 109.995 -171.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.85 86.11 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 125.437 1.711 . . . . 0.0 111.15 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.64 -38.17 89.22 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.921 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.01 -13.0 60.79 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -101.58 -11.4 19.27 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 123.936 0.773 . . . . 0.0 111.031 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.78 35.09 2.44 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.595 1.558 . . . . 0.0 109.119 -173.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 38.6 mt -114.52 18.84 16.55 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.522 1.153 . . . . 0.0 112.046 -179.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' HD22 ' A' ' 36' ' ' LEU . 32.8 p-80 -73.1 -34.56 66.25 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.501 -173.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 174' ' ' HOH . 1.2 mm? -65.38 -52.59 44.8 Favored Pre-proline 0 N--CA 1.482 1.125 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 178.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 36' ' ' LEU . 17.7 Cg_exo -59.46 -39.15 78.76 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 O-C-N 124.375 1.724 . . . . 0.0 111.881 175.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.51 -43.05 95.3 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 123.658 1.694 . . . . 0.0 108.987 -176.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -37.84 84.54 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 113.249 -1.796 . . . . 0.0 110.408 -175.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.41 -30.23 69.09 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 125.922 2.773 . . . . 0.0 110.604 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 tp -73.01 -48.17 38.62 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 113.01 -1.904 . . . . 0.0 109.854 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -76.64 -33.19 58.35 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -174.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD11 ' O ' ' A' ' 143' ' ' HOH . 11.9 mt -116.39 154.62 29.95 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.762 -1.836 . . . . 0.0 113.181 -171.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.12 165.28 37.5 Favored Pre-proline 0 C--N 1.307 -1.272 0 O-C-N 126.824 2.577 . . . . 0.0 107.555 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -62.18 -46.88 11.41 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 N-CA-C 105.791 -2.427 . . . . 0.0 105.791 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -48.21 -49.76 31.73 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 111.358 -2.655 . . . . 0.0 110.326 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.28 -43.77 80.97 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.523 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -65.19 -34.2 77.8 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 118.293 -0.861 . . . . 0.0 109.97 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.93 -46.78 86.17 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.889 1.368 . . . . 0.0 109.758 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . 0.63 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -58.48 -51.41 69.96 Favored 'General case' 0 C--O 1.266 1.932 0 O-C-N 126.004 2.065 . . . . 0.0 110.718 -179.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.91 -41.53 71.08 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 118.507 0.594 . . . . 0.0 110.305 -178.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.11 63.3 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 116.411 -2.804 . . . . 0.0 108.047 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.2 m -64.3 -31.51 72.74 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 114.482 -2.675 . . . . 0.0 112.064 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 43.4 mtt180 -66.19 -29.6 69.91 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 120.486 1.494 . . . . 0.0 113.406 176.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.52 -43.42 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 120.078 -1.639 . . . . 0.0 108.562 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -68.01 -39.17 83.24 Favored 'General case' 0 C--O 1.26 1.636 0 O-C-N 129.096 3.997 . . . . 0.0 112.906 -177.797 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.42 -49.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 116.511 -1.709 . . . . 0.0 110.789 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 t -63.85 -42.09 94.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 O-C-N 125.208 1.568 . . . . 0.0 111.592 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.808 ' HG3' ' HB3' ' A' ' 104' ' ' LEU . 7.0 tt0 -58.56 -43.84 89.52 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 126.02 2.075 . . . . 0.0 109.074 177.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . 0.701 ' OE2' ' SD ' ' A' ' 66' ' ' MET . 11.9 mt-10 -76.17 -32.23 58.93 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.511 1.757 . . . . 0.0 111.74 -175.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.16 -34.08 72.56 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 20.0 mt -70.84 -30.87 67.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 116.667 -1.635 . . . . 0.0 107.54 -179.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -71.5 -35.38 70.75 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 128.73 3.769 . . . . 0.0 112.922 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . 0.854 ' HA2' ' O ' ' A' ' 126' ' ' HOH . . . 66.64 7.64 42.31 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-O 117.555 -1.692 . . . . 0.0 115.644 -178.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.14 -35.1 31.97 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 116.357 -1.782 . . . . 0.0 115.295 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' MET . . . . . 1.032 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 8.1 mtp -96.29 147.85 23.36 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 125.777 1.923 . . . . 0.0 112.07 -176.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.87 155.83 22.73 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 125.355 1.462 . . . . 0.0 108.032 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -47.88 -44.66 29.62 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 112.258 -2.246 . . . . 0.0 109.96 -176.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.51 -34.32 63.02 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . 0.864 ' OE2' ' O ' ' A' ' 168' ' ' HOH . 53.2 mt-10 -62.5 -37.32 85.55 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . 1.032 ' CD1' ' HB2' ' A' ' 66' ' ' MET . 2.3 mp -61.38 -37.71 84.38 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 111.752 -2.477 . . . . 0.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -70.89 -41.29 71.51 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 128.107 3.813 . . . . 0.0 112.766 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.48 -52.1 36.05 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 112.96 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -81.21 -21.77 39.31 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 116.693 -2.003 . . . . 0.0 114.031 -175.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 5.2 mp -107.58 -22.93 12.34 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.674 -1.211 . . . . 0.0 109.237 -174.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . 0.791 ' O ' ' O ' ' A' ' 148' ' ' HOH . . . 74.26 25.33 71.09 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.775 -0.578 . . . . 0.0 111.71 177.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.54 133.26 45.24 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 114.876 -0.662 . . . . 0.0 109.941 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 144.97 38.18 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-O 122.378 0.988 . . . . 0.0 110.676 177.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -44.96 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 113.574 -1.313 . . . . 0.0 112.618 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.17 68.34 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 120.049 1.295 . . . . 0.0 112.813 -179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 m -70.87 -32.82 69.93 Favored 'General case' 0 C--O 1.261 1.693 0 CA-C-O 123.517 1.627 . . . . 0.0 110.928 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.7 -45.4 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 113.558 -1.656 . . . . 0.0 109.209 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.9 m -63.62 -43.82 95.76 Favored 'General case' 0 C--N 1.296 -1.725 1 O-C-N 129.364 4.165 . . . . 0.0 111.426 -177.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -36.43 73.99 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.586 175.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.6 79.41 Favored Glycine 0 N--CA 1.486 2.007 0 N-CA-C 107.24 -2.344 . . . . 0.0 107.24 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 t -67.21 -49.88 62.89 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 116.466 -1.73 . . . . 0.0 110.031 176.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . 0.601 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 83.1 m-20 -61.11 -42.35 98.37 Favored 'General case' 0 C--O 1.26 1.64 1 O-C-N 129.252 4.095 . . . . 0.0 113.819 -178.519 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . 0.599 ' O ' ' O ' ' A' ' 134' ' ' HOH 0.278 99.0 p -71.46 -29.86 65.35 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 124.763 2.22 . . . . 0.0 113.596 -174.689 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 12.7 tp -68.75 -38.21 79.96 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.882 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 22.7 pttt -66.43 -38.18 86.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 124.814 1.321 . . . . 0.0 109.69 -178.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -10.11 59.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.069 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . 0.78 ' CB ' ' O ' ' A' ' 150' ' ' HOH . . . -69.57 140.6 89.78 Favored Pre-proline 0 N--CA 1.481 1.088 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.053 -177.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -60.3 139.14 85.33 Favored 'Trans proline' 0 C--O 1.258 1.512 0 O-C-N 125.452 2.29 . . . . 0.0 110.444 174.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . 0.551 HG23 HH21 ' A' ' 97' ' ' ARG . 2.8 p -48.15 -38.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 122.239 1.018 . . . . 0.0 112.487 -176.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.66 -34.05 75.04 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.851 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.85 -51.2 19.69 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 125.81 1.944 . . . . 0.0 108.006 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . 0.601 ' NE ' ' O ' ' A' ' 129' ' ' HOH . 5.8 mtp180 -49.2 -46.64 45.97 Favored 'General case' 0 C--O 1.26 1.64 0 CA-C-O 123.791 1.758 . . . . 0.0 112.273 178.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 94' ' ' VAL . 33.5 mt-30 -60.4 -48.55 81.27 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 119.338 -2.101 . . . . 0.0 109.754 178.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -60.07 -49.53 77.27 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.064 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.32 -37.27 80.08 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.159 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.74 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 39.3 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 124.208 1.956 . . . . 0.0 111.108 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 175' ' ' HOH . 0.7 OUTLIER -58.57 -53.9 53.13 Favored 'General case' 0 C--N 1.296 -1.744 1 C-N-CA 131.961 4.104 . . . . 0.0 109.371 -179.972 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . 0.864 ' O ' ' HA ' ' A' ' 107' ' ' SER 0.288 59.3 t -80.45 -53.73 12.09 Favored 'Isoleucine or valine' 0 C--O 1.264 1.832 0 CA-C-O 115.568 -2.158 . . . . 0.0 113.972 -177.477 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . 0.808 ' HB3' ' HG3' ' A' ' 59' ' ' GLU . 71.0 mt -76.75 -20.58 56.33 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 121.9 2.136 . . . . 0.0 115.451 -177.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 101' ' ' GLU . 0.6 OUTLIER -146.78 60.86 1.2 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 123.84 1.781 . . . . 0.0 107.202 -174.786 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 44.1 mttt 168.89 -7.67 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 126.271 2.939 . . . . 0.0 105.028 -179.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SER . . . . . 0.864 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 6.6 m 34.98 139.79 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 131.546 3.938 . . . . 0.0 119.244 173.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' ' O ' ' A' ' 171' ' ' HOH 0.258 1.4 t0 . . . . . 0 C--O 1.255 1.386 0 C-N-CA 130.08 3.352 . . . . 0.0 107.478 173.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . 0.854 ' O ' ' HA2' ' A' ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . 0.601 ' O ' ' NE ' ' A' ' 97' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . 0.599 ' O ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . 0.48 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . 0.675 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . 0.658 ' O ' ' HZ ' ' A' ' 22' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . 0.943 ' O ' HD11 ' A' ' 43' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . 0.791 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . 0.78 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . 0.767 ' O ' ' HA ' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . 0.56 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . 0.681 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.864 ' O ' ' OE2' ' A' ' 70' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . 0.639 ' O ' ' O ' ' A' ' 108' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . 1.092 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . 0.531 ' O ' HD23 ' A' ' 36' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . 0.754 ' O ' ' HG2' ' A' ' 102' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . 0.72 ' O ' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' A' ' 11' ' ' MET . 28.0 t . . . . . 0 C--O 1.245 0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.65 61.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 112.317 -2.219 . . . . 0.0 107.228 171.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.63 -49.5 77.5 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.39 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . 0.438 ' HB2' ' OG ' ' A' ' 8' ' ' SER . 30.0 mmm -95.19 36.02 1.25 Allowed 'General case' 0 C--O 1.248 0.977 0 CA-C-O 117.122 -1.418 . . . . 0.0 113.451 179.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.87 -28.42 66.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 119.105 0.866 . . . . 0.0 110.537 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.675 ' OE2' ' O ' ' A' ' 141' ' ' HOH . 26.3 tp10 -72.15 -42.63 65.75 Favored 'General case' 0 C--O 1.255 1.376 0 C-N-CA 119.242 -0.983 . . . . 0.0 111.591 -178.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.49 -47.38 84.24 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.767 ' HA ' ' O ' ' A' ' 159' ' ' HOH . 0.0 OUTLIER -61.18 -27.21 68.25 Favored 'General case' 0 C--O 1.262 1.751 0 O-C-N 127.646 3.091 . . . . 0.0 113.03 -179.444 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 11.4 t-80 -75.61 -42.5 51.66 Favored 'General case' 0 C--N 1.32 -0.68 1 CA-C-O 129.561 4.505 . . . . 0.0 111.659 176.644 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . 1.092 ' NE2' ' O ' ' A' ' 173' ' ' HOH . 3.2 mm-40 -61.89 -38.55 88.77 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 116.577 -3.827 . . . . 0.0 112.953 174.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 159' ' ' HOH . 96.4 mt-10 -72.24 -36.75 69.16 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 127.035 2.709 . . . . 0.0 109.06 -174.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -65.94 -45.18 82.75 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 111.457 -2.61 . . . . 0.0 110.184 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 33.3 mt -63.45 -28.93 70.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 119.525 -1.984 . . . . 0.0 112.317 -176.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.89 -55.55 31.69 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.658 ' HZ ' ' O ' ' A' ' 142' ' ' HOH . 35.8 t80 -53.43 -48.05 69.1 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 124.966 1.416 . . . . 0.0 112.236 176.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.317 0.8 OUTLIER -60.17 -31.12 47.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 O-C-N 118.533 -2.604 . . . . 0.0 113.927 178.186 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.25 -28.47 38.45 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 124.626 1.203 . . . . 0.0 110.583 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.38 -49.19 61.87 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 127.587 3.054 . . . . 0.0 109.601 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.92 -49.69 76.45 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 127.081 2.738 . . . . 0.0 108.709 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HE2' ' O ' ' A' ' 163' ' ' HOH . 2.1 ttmp? -39.66 -54.08 2.08 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.044 173.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -69.13 -34.35 74.9 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 125.252 1.595 . . . . 0.0 109.995 -171.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.85 86.11 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 125.437 1.711 . . . . 0.0 111.15 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -62.64 -38.17 89.22 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.921 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.01 -13.0 60.79 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -101.58 -11.4 19.27 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 123.936 0.773 . . . . 0.0 111.031 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.78 35.09 2.44 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.595 1.558 . . . . 0.0 109.119 -173.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' O ' ' HD2' ' A' ' 37' ' ' PRO . 38.6 mt -114.52 18.84 16.55 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.522 1.153 . . . . 0.0 112.046 -179.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' HD22 ' A' ' 36' ' ' LEU . 32.8 p-80 -73.1 -34.56 66.25 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.501 -173.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 174' ' ' HOH . 1.2 mm? -65.38 -52.59 44.8 Favored Pre-proline 0 N--CA 1.482 1.125 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 178.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 36' ' ' LEU . 17.7 Cg_exo -59.46 -39.15 78.76 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 O-C-N 124.375 1.724 . . . . 0.0 111.881 175.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.51 -43.05 95.3 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 123.658 1.694 . . . . 0.0 108.987 -176.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -37.84 84.54 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 113.249 -1.796 . . . . 0.0 110.408 -175.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.41 -30.23 69.09 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 125.922 2.773 . . . . 0.0 110.604 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.5 tp -73.01 -48.17 38.62 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 113.01 -1.904 . . . . 0.0 109.854 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -76.64 -33.19 58.35 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -174.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD11 ' O ' ' A' ' 143' ' ' HOH . 11.9 mt -116.39 154.62 29.95 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.762 -1.836 . . . . 0.0 113.181 -171.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.12 165.28 37.5 Favored Pre-proline 0 C--N 1.307 -1.272 0 O-C-N 126.824 2.577 . . . . 0.0 107.555 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -62.18 -46.88 11.41 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 N-CA-C 105.791 -2.427 . . . . 0.0 105.791 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -48.21 -49.76 31.73 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 111.358 -2.655 . . . . 0.0 110.326 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.28 -43.77 80.97 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.523 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -65.19 -34.2 77.8 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 118.293 -0.861 . . . . 0.0 109.97 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.93 -46.78 86.17 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 124.889 1.368 . . . . 0.0 109.758 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.63 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -58.48 -51.41 69.96 Favored 'General case' 0 C--O 1.266 1.932 0 O-C-N 126.004 2.065 . . . . 0.0 110.718 -179.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.91 -41.53 71.08 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 118.507 0.594 . . . . 0.0 110.305 -178.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.11 63.3 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 116.411 -2.804 . . . . 0.0 108.047 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.2 m -64.3 -31.51 72.74 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 114.482 -2.675 . . . . 0.0 112.064 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 43.4 mtt180 -66.19 -29.6 69.91 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 120.486 1.494 . . . . 0.0 113.406 176.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.52 -43.42 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 O-C-N 120.078 -1.639 . . . . 0.0 108.562 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -68.01 -39.17 83.24 Favored 'General case' 0 C--O 1.26 1.636 0 O-C-N 129.096 3.997 . . . . 0.0 112.906 -177.797 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.42 -49.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 116.511 -1.709 . . . . 0.0 110.789 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 t -63.85 -42.09 94.71 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 O-C-N 125.208 1.568 . . . . 0.0 111.592 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.808 ' HG3' ' HB3' ' A' ' 104' ' ' LEU . 7.0 tt0 -58.56 -43.84 89.52 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 126.02 2.075 . . . . 0.0 109.074 177.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.701 ' OE2' ' SD ' ' A' ' 66' ' ' MET . 11.9 mt-10 -76.17 -32.23 58.93 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.511 1.757 . . . . 0.0 111.74 -175.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.16 -34.08 72.56 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 20.0 mt -70.84 -30.87 67.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 116.667 -1.635 . . . . 0.0 107.54 -179.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -71.5 -35.38 70.75 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 128.73 3.769 . . . . 0.0 112.922 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.854 ' HA2' ' O ' ' A' ' 126' ' ' HOH . . . 66.64 7.64 42.31 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-O 117.555 -1.692 . . . . 0.0 115.644 -178.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.14 -35.1 31.97 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 116.357 -1.782 . . . . 0.0 115.295 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' MET . . . . . 1.032 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 8.1 mtp -96.29 147.85 23.36 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 125.777 1.923 . . . . 0.0 112.07 -176.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.87 155.83 22.73 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 125.355 1.462 . . . . 0.0 108.032 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -47.88 -44.66 29.62 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 112.258 -2.246 . . . . 0.0 109.96 -176.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.51 -34.32 63.02 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.864 ' OE2' ' O ' ' A' ' 168' ' ' HOH . 53.2 mt-10 -62.5 -37.32 85.55 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.032 ' CD1' ' HB2' ' A' ' 66' ' ' MET . 2.3 mp -61.38 -37.71 84.38 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 111.752 -2.477 . . . . 0.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -70.89 -41.29 71.51 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 128.107 3.813 . . . . 0.0 112.766 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.48 -52.1 36.05 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 112.96 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -81.21 -21.77 39.31 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 116.693 -2.003 . . . . 0.0 114.031 -175.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 5.2 mp -107.58 -22.93 12.34 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 118.674 -1.211 . . . . 0.0 109.237 -174.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.791 ' O ' ' O ' ' A' ' 148' ' ' HOH . . . 74.26 25.33 71.09 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.775 -0.578 . . . . 0.0 111.71 177.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.54 133.26 45.24 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 114.876 -0.662 . . . . 0.0 109.941 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 144.97 38.18 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-O 122.378 0.988 . . . . 0.0 110.676 177.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -44.96 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 113.574 -1.313 . . . . 0.0 112.618 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.17 68.34 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 120.049 1.295 . . . . 0.0 112.813 -179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 m -70.87 -32.82 69.93 Favored 'General case' 0 C--O 1.261 1.693 0 CA-C-O 123.517 1.627 . . . . 0.0 110.928 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.7 -45.4 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 113.558 -1.656 . . . . 0.0 109.209 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.9 m -63.62 -43.82 95.76 Favored 'General case' 0 C--N 1.296 -1.725 1 O-C-N 129.364 4.165 . . . . 0.0 111.426 -177.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -36.43 73.99 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.586 175.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.6 79.41 Favored Glycine 0 N--CA 1.486 2.007 0 N-CA-C 107.24 -2.344 . . . . 0.0 107.24 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 t -67.21 -49.88 62.89 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 116.466 -1.73 . . . . 0.0 110.031 176.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.601 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 3.3 m120 -61.11 -42.35 98.37 Favored 'General case' 0 C--O 1.26 1.64 1 O-C-N 129.252 4.095 . . . . 0.0 113.819 -178.519 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . 0.599 ' O ' ' O ' ' A' ' 134' ' ' HOH 0.278 99.0 p -71.46 -29.86 65.35 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 124.763 2.22 . . . . 0.0 113.596 -174.689 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 12.7 tp -68.75 -38.21 79.96 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.882 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 87' ' ' ASN . 22.7 pttt -66.43 -38.18 86.83 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 124.814 1.321 . . . . 0.0 109.69 -178.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -10.11 59.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.069 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.78 ' CB ' ' O ' ' A' ' 150' ' ' HOH . . . -69.57 140.6 89.78 Favored Pre-proline 0 N--CA 1.481 1.088 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.053 -177.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -60.3 139.14 85.33 Favored 'Trans proline' 0 C--O 1.258 1.512 0 O-C-N 125.452 2.29 . . . . 0.0 110.444 174.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.551 HG23 HH21 ' A' ' 97' ' ' ARG . 2.8 p -48.15 -38.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 122.239 1.018 . . . . 0.0 112.487 -176.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.66 -34.05 75.04 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.851 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.85 -51.2 19.69 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 125.81 1.944 . . . . 0.0 108.006 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.601 ' NE ' ' O ' ' A' ' 129' ' ' HOH . 5.8 mtp180 -49.2 -46.64 45.97 Favored 'General case' 0 C--O 1.26 1.64 0 CA-C-O 123.791 1.758 . . . . 0.0 112.273 178.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 94' ' ' VAL . 33.5 mt-30 -60.4 -48.55 81.27 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 119.338 -2.101 . . . . 0.0 109.754 178.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -60.07 -49.53 77.27 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-N 113.899 -1.5 . . . . 0.0 112.064 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.32 -37.27 80.08 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.159 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.74 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 39.3 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 124.208 1.956 . . . . 0.0 111.108 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 175' ' ' HOH . 0.7 OUTLIER -58.57 -53.9 53.13 Favored 'General case' 0 C--N 1.296 -1.744 1 C-N-CA 131.961 4.104 . . . . 0.0 109.371 -179.972 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.864 ' O ' ' HA ' ' A' ' 107' ' ' SER 0.288 59.3 t -80.45 -53.73 12.09 Favored 'Isoleucine or valine' 0 C--O 1.264 1.832 0 CA-C-O 115.568 -2.158 . . . . 0.0 113.972 -177.477 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.808 ' HB3' ' HG3' ' A' ' 59' ' ' GLU . 71.0 mt -76.75 -20.58 56.33 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 121.9 2.136 . . . . 0.0 115.451 -177.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 101' ' ' GLU . 0.6 OUTLIER -146.78 60.86 1.2 Allowed 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 123.84 1.781 . . . . 0.0 107.202 -174.786 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 44.1 mttt 168.89 -7.67 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 126.271 2.939 . . . . 0.0 105.028 -179.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SER . . . . . 0.864 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 6.6 m 34.98 139.79 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 131.546 3.938 . . . . 0.0 119.244 173.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.639 ' O ' ' O ' ' A' ' 171' ' ' HOH 0.258 1.4 t0 . . . . . 0 C--O 1.255 1.386 0 C-N-CA 130.08 3.352 . . . . 0.0 107.478 173.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . 0.854 ' O ' ' HA2' ' A' ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . 0.601 ' O ' ' NE ' ' A' ' 97' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . 0.599 ' O ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . 0.48 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . 0.675 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . 0.658 ' O ' ' HZ ' ' A' ' 22' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . 0.943 ' O ' HD11 ' A' ' 43' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . 0.791 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . 0.78 ' O ' ' CB ' ' A' ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . 0.767 ' O ' ' HA ' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . 0.56 ' O ' ' HE2' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . 0.681 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.864 ' O ' ' OE2' ' A' ' 70' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . 0.639 ' O ' ' O ' ' A' ' 108' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . 1.092 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . 0.531 ' O ' HD23 ' A' ' 36' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . 0.754 ' O ' ' HG2' ' A' ' 102' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . 0.72 ' O ' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_