data_5vwc_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 5vwc _Structure_validation_residue.Date_analyzed 2017-11-03 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 ' 724' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 CA-C-O 121.442 0.639 . . . . 51.259999999999998 110.119 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 725' ' ' GLU . . . . . 0.951 ' OE2' ' O ' ' A' 1001 ' ' HOH . 8.3 mm-40 -88.98 -36.6 15.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 118.523 -1.271 . . . . 39.18 111.206 -179.55 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.14 139.93 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.03 -1.044 . . . . 51.670000000000002 108.582 166.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 727' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.87 153.85 50.94 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.572 -0.899 . . . . 52.390000000000001 108.572 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 92.4 m -119.76 126.45 51.06 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.074 -1.084 . . . . 43.57 108.074 172.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 12.5 mt -125.13 146.46 49.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.735 -0.839 . . . . 37.289999999999999 108.735 -174.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 730' ' ' THR . . . . . . . . . . . . . 6.5 m -117.97 121.69 41.3 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.439 -0.949 . . . . 38.630000000000003 108.439 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 731' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.68 124.44 72.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.487 -0.931 . . . . 40.950000000000003 108.487 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 732' ' ' LEU . . . . . . . . . . . . . 4.1 mt -85.25 118.99 25.13 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.815 -0.809 . . . . 57.57 108.815 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 733' ' ' ARG . . . . . 0.565 ' NH2' ' HB3' ' A' ' 803' ' ' ALA . 1.6 ttm-85 -61.17 152.86 27.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.325 -0.852 . . . . 60.259999999999998 110.444 -177.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 734' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -152.16 167.18 29.36 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.182 0.991 . . . . 77.180000000000007 110.274 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 5.0 t -46.36 123.69 5.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.628 -1.624 . . . . 73.629999999999995 110.571 172.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . 82.38 10.05 84.09 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 115.331 0.893 . . . . 66.689999999999998 115.331 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 737' ' ' GLY . . . . . . . . . . . . . . . 97.66 -172.14 27.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-O 122.9 1.278 . . . . 43.700000000000003 113.736 165.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.7 mt -80.59 -14.91 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 113.724 -1.238 . . . . 37.840000000000003 112.838 -172.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.76 40.1 32.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.026 -0.607 . . . . 25.57 114.215 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 740' ' ' ILE . . . . . . . . . . . . . 24.0 pt -142.08 163.02 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 107.862 -1.162 . . . . 32.259999999999998 107.862 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 51.1 m -123.21 147.24 47.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 31.010000000000002 108.499 166.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 742' ' ' ILE . . . . . . . . . . . . . 26.5 pt -122.44 150.5 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.94 0.876 . . . . 26.620000000000001 109.686 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 743' ' ' ALA . . . . . . . . . . . . . . . -137.4 151.17 48.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.354 -1.294 . . . . 21.350000000000001 109.12 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 744' ' ' GLY . . . . . . . . . . . . . . . 96.18 -167.57 25.17 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-O 122.712 1.174 . . . . 17.109999999999999 112.151 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 112.61 153.61 11.76 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.186 -1.166 . . . . 18.25 110.186 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -60.03 122.08 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.595 -0.442 . . . . 41.18 110.666 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 90.88 -15.31 61.03 Favored Glycine 0 C--N 1.336 0.578 0 CA-C-O 119.171 -0.794 . . . . 18.329999999999998 114.85 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 69.0 m -89.39 160.43 16.82 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.364 1.082 . . . . 24.57 110.514 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 749' ' ' THR . . . . . . . . . . . . . 82.6 m -49.62 124.6 15.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.06 -0.973 . . . . 47.859999999999999 108.604 172.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 750' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -74.74 151.38 40.84 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 CA-C-O 121.923 0.718 . . . . 23.77 111.614 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -76.1 -34.97 59.51 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.942 -1.027 . . . . 24.59 111.851 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 752' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -123.81 176.19 6.43 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 125.196 1.399 . . . . 42.539999999999999 109.284 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 753' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.56 49.87 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 115.042 0.777 . . . . 44.859999999999999 115.042 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -119.55 21.69 11.98 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 117.685 0.743 . . . . 57.990000000000002 112.109 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 755' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -155.35 119.95 4.74 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.373 -0.531 . . . . 37.109999999999999 109.701 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -86.18 5.92 31.83 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.862 0.689 . . . . 32.039999999999999 112.862 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . -75.11 -176.16 37.63 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-O 122.825 1.236 . . . . 17.789999999999999 112.323 -170.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 16.9 mm -97.42 125.53 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 113.864 -1.168 . . . . 31.210000000000001 108.337 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 759' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -127.32 151.6 48.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 19.239999999999998 110.026 -176.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 760' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.27 109.56 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 106.859 -1.534 . . . . 29.219999999999999 106.859 169.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 88.8 p -94.27 -18.22 21.87 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.049 0.759 . . . . 21.52 113.049 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 762' ' ' ARG . . . . . 0.436 HH12 ' HG ' ' A' ' 764' ' ' SER . 52.4 ttp85 -153.83 142.41 20.81 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.085 -1.45 . . . . 56.950000000000003 107.085 -178.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.98 120.25 53.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 107.247 -1.39 . . . . 26.530000000000001 107.247 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 764' ' ' SER . . . . . 0.436 ' HG ' HH12 ' A' ' 762' ' ' ARG . 64.1 m -56.31 127.59 31.63 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.481 -0.487 . . . . 53.450000000000003 109.741 171.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 765' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -50.55 -46.07 57.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.0 -0.546 . . . . 74.790000000000006 111.749 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 766' ' ' GLU . . . . . . . . . . . . . . . -104.94 12.51 32.32 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.044 0.757 . . . . 54.950000000000003 113.044 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -89.72 175.91 42.42 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-O 122.014 0.785 . . . . 41.450000000000003 113.527 -171.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.31 -46.33 25.49 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 N-CA-C 114.053 0.751 . . . . 34.189999999999998 114.053 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.13 99.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.266 -0.574 . . . . 26.18 111.341 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.07 80.72 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.119 -0.632 . . . . 34.960000000000001 110.507 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 771' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -62.33 -32.6 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.617 -0.433 . . . . 66.040000000000006 111.972 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 772' ' ' ALA . . . . . . . . . . . . . . . -73.52 -11.23 60.38 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.661 0.985 . . . . 29.879999999999999 113.661 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 773' ' ' GLY . . . . . . . . . . . . . . . 101.66 6.47 49.87 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 116.224 1.249 . . . . 30.210000000000001 116.224 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 140.86 18.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 118.9 1.35 . . . . 21.879999999999999 110.328 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 775' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -124.63 144.58 50.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.219 0.533 . . . . 32.640000000000001 110.262 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 776' ' ' VAL . . . . . . . . . . . . . 13.1 p -54.68 143.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.12 -0.946 . . . . 37.020000000000003 108.618 172.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . 90.26 -15.16 60.49 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-O 119.155 -0.803 . . . . 17.620000000000001 114.739 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 778' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -56.49 135.95 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.997 0.899 . . . . 17.84 110.562 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -93.4 128.32 39.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.842 -0.799 . . . . 29.190000000000001 108.842 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 780' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 809' ' ' MET . 8.9 tp -81.48 116.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.545 . . . . 42.420000000000002 109.53 -175.716 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 78.0 mt -99.68 -34.38 10.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.54 0.57 . . . . 26.309999999999999 112.54 179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 782' ' ' GLU . . . . . 0.65 ' OE1' ' NH1' ' A' ' 810' ' ' ARG . 66.0 tt0 -161.13 145.86 13.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.784 -1.191 . . . . 45.689999999999998 107.784 -172.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.54 113.15 10.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.865 -1.531 . . . . 31.100000000000001 106.865 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 784' ' ' ASN . . . . . 0.48 ' ND2' ' HB1' ' A' ' 803' ' ' ALA . 13.4 m-20 50.07 46.43 24.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.968 0.89 . . . . 42.479999999999997 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 785' ' ' GLY . . . . . 0.401 ' HA2' ' OE2' ' A' ' 782' ' ' GLU . . . 84.08 -10.68 60.0 Favored Glycine 0 N--CA 1.441 -0.972 0 CA-C-O 118.536 -1.147 . . . . 38.68 115.724 177.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 786' ' ' VAL . . . . . . . . . . . . . 62.5 t -86.31 120.0 35.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 119.277 1.539 . . . . 35.840000000000003 108.306 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -71.33 129.48 38.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 37.450000000000003 109.919 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 788' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.45 16.39 16.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.409 -0.517 . . . . 49.159999999999997 112.049 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 789' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' 1010 ' ' HOH . 1.2 mt-30 -79.03 125.61 29.62 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.578 -0.897 . . . . 63.829999999999998 108.578 174.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 68.52 10.76 61.03 Favored Glycine 0 N--CA 1.438 -1.222 0 CA-C-O 118.93 -0.928 . . . . 47.119999999999997 114.862 -171.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 791' ' ' ALA . . . . . . . . . . . . . . . -76.33 158.66 31.27 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 118.948 1.374 . . . . 27.879999999999999 110.887 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 792' ' ' GLU . . . . . 0.632 ' OE2' ' O ' ' A' 1003 ' ' HOH . 52.5 mt-10 -73.71 152.47 40.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.694 -1.139 . . . . 47.899999999999999 110.727 167.176 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 793' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -51.57 -42.17 61.67 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.977 -1.01 . . . . 22.530000000000001 111.34 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 794' ' ' HIS . . . . . 0.445 ' HA ' ' H11' ' A' ' 902' ' ' EDO . 69.1 t60 -65.64 -42.59 91.27 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.203 -0.31 . . . . 34.149999999999999 111.648 -174.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 795' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -41.43 92.77 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 120.058 -0.657 . . . . 58.369999999999997 110.873 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 796' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.37 87.15 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.569 -0.453 . . . . 22.699999999999999 111.049 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 797' ' ' VAL . . . . . . . . . . . . . 78.3 t -57.32 -44.18 83.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 120.437 -0.505 . . . . 33.530000000000001 110.131 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 798' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -64.67 -40.81 96.05 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.794 -0.566 . . . . 51.369999999999997 111.483 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 799' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 803' ' ' ALA . . . -62.74 -41.75 99.34 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.494 -0.882 . . . . 37.380000000000003 110.844 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.51 -38.75 77.73 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.23 -0.988 . . . . 29.16 111.071 -178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 801' ' ' ARG . . . . . 0.534 ' HD2' ' H21' ' A' ' 901' ' ' EDO . 88.0 mtt-85 -77.61 -26.51 50.7 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.955 0.724 . . . . 74.390000000000001 112.955 -174.387 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 802' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' 1004 ' ' HOH . . . -109.94 16.87 30.31 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.787 -0.72 . . . . 50.100000000000001 114.651 -175.466 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 803' ' ' ALA . . . . . 0.565 ' HB3' ' NH2' ' A' ' 733' ' ' ARG . . . -79.82 -19.4 48.57 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.446 1.276 . . . . 60.100000000000001 114.446 -166.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 804' ' ' GLY . . . . . 0.48 ' O ' ' NE ' ' A' ' 733' ' ' ARG . . . 113.85 -168.79 12.67 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 120.394 1.452 . . . . 66.049999999999997 112.887 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 69.3 p -62.4 -36.1 81.26 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.091 -0.644 . . . . 61.979999999999997 111.793 -172.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 806' ' ' ALA . . . . . . . . . . . . . . . -125.43 148.99 48.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.047 -0.724 . . . . 37.619999999999997 109.047 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.73 122.9 65.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.721 -1.214 . . . . 34.509999999999998 107.721 -176.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 808' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -94.03 123.7 37.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.84 -0.8 . . . . 43.140000000000001 108.84 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 809' ' ' MET . . . . . 0.452 ' HG3' HD11 ' A' ' 780' ' ' LEU . 46.0 ttm -121.03 123.84 43.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.903 -0.777 . . . . 42.43 108.903 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 810' ' ' ARG . . . . . 0.65 ' NH1' ' OE1' ' A' ' 782' ' ' GLU . 30.0 ttm105 -102.76 124.06 47.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.47 -1.308 . . . . 61.899999999999999 107.47 174.13 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.04 157.02 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.291 1.043 . . . . 21.07 109.62 -173.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 812' ' ' TRP . . . . . 0.441 ' HE1' ' HO2' ' A' ' 903' ' ' EDO . 59.4 t-105 -107.61 123.86 49.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.789 -1.096 . . . . 31.18 108.27 170.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -114.52 124.55 52.18 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.451 -0.203 . . . . 22.449999999999999 110.451 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 814' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.19 118.01 30.43 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.065 0.946 . . . . 49.409999999999997 109.981 170.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 815' ' ' ARG . . . . . 0.937 ' NH1' ' O ' ' A' 1002 ' ' HOH . 24.0 mmt180 -77.59 -21.56 52.22 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.631 0.604 . . . . 76.120000000000005 112.631 167.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -149.14 148.36 29.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.999 -0.741 . . . . 40.590000000000003 108.999 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 77.4 m -124.15 118.78 27.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.529 -0.76 . . . . 29.93 109.234 -172.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 818' ' ' SER . . . . . . . . . . . . . 8.7 t -69.0 135.32 50.72 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.888 0.742 . . . . 62.079999999999998 110.706 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 120.84 0.352 . . . . 37.899999999999999 111.124 175.26 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 901' ' ' EDO . . . . . 0.534 ' H21' ' HD2' ' A' ' 801' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 902' ' ' EDO . . . . . 0.445 ' H11' ' HA ' ' A' ' 794' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 903' ' ' EDO . . . . . 0.543 ' H21' ' OE1' ' A' ' 725' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . 0.951 ' O ' ' OE2' ' A' ' 725' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . 0.937 ' O ' ' NH1' ' A' ' 815' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . 0.632 ' O ' ' OE2' ' A' ' 792' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1004 ' ' HOH . . . . . 0.435 ' O ' ' O ' ' A' ' 802' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1010 ' ' HOH . . . . . 0.441 ' O ' ' NE2' ' A' ' 789' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1014 ' ' HOH . . . . . 0.425 ' O ' ' HG2' ' A' ' 733' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 724' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 CA-C-O 121.442 0.639 . . . . 49.68 110.119 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 725' ' ' GLU . . . . . 0.951 ' OE2' ' O ' ' A' 1001 ' ' HOH . 8.3 mm-40 -88.98 -36.6 15.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 118.523 -1.271 . . . . 32.630000000000003 111.206 -179.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.14 139.93 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.03 -1.044 . . . . 51.670000000000002 108.582 166.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 727' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.87 153.85 50.94 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.572 -0.899 . . . . 43.640000000000001 108.572 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 92.4 m -119.76 126.45 51.06 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.074 -1.084 . . . . 36.289999999999999 108.074 172.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 12.5 mt -125.13 146.46 49.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.735 -0.839 . . . . 31.050000000000001 108.735 -174.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 730' ' ' THR . . . . . . . . . . . . . 6.5 m -117.97 121.69 41.3 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.439 -0.949 . . . . 32.170000000000002 108.439 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 731' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.68 124.44 72.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.487 -0.931 . . . . 34.100000000000001 108.487 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 732' ' ' LEU . . . . . . . . . . . . . 4.1 mt -85.25 118.99 25.13 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.815 -0.809 . . . . 47.950000000000003 108.815 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 733' ' ' ARG . . . . . 0.558 ' NH2' ' HB3' ' A' ' 803' ' ' ALA . 1.6 ttm-85 -61.17 152.86 27.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.325 -0.852 . . . . 50.990000000000002 110.444 -177.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 734' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -152.16 167.18 29.36 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.182 0.991 . . . . 68.909999999999997 110.274 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 5.0 t -46.36 123.69 5.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.628 -1.624 . . . . 61.340000000000003 110.571 172.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . 82.38 10.05 84.09 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 115.331 0.893 . . . . 55.549999999999997 115.331 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 737' ' ' GLY . . . . . . . . . . . . . . . 97.66 -172.14 27.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-O 122.9 1.278 . . . . 36.390000000000001 113.736 165.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.7 mt -80.59 -14.91 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 113.724 -1.238 . . . . 31.510000000000002 112.838 -172.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.76 40.1 32.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.026 -0.607 . . . . 24.120000000000001 114.215 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 740' ' ' ILE . . . . . . . . . . . . . 24.0 pt -142.08 163.02 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 107.862 -1.162 . . . . 26.859999999999999 107.862 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 51.1 m -123.21 147.24 47.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 25.82 108.499 166.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 742' ' ' ILE . . . . . . . . . . . . . 26.5 pt -122.44 150.5 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.94 0.876 . . . . 22.16 109.686 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 743' ' ' ALA . . . . . . . . . . . . . . . -137.4 151.17 48.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.354 -1.294 . . . . 17.760000000000002 109.12 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 744' ' ' GLY . . . . . . . . . . . . . . . 96.18 -167.57 25.17 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-O 122.712 1.174 . . . . 17.109999999999999 112.151 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 112.61 153.61 11.76 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.186 -1.166 . . . . 15.210000000000001 110.186 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -60.03 122.08 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.595 -0.442 . . . . 34.289999999999999 110.666 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 90.88 -15.31 61.03 Favored Glycine 0 C--N 1.336 0.578 0 CA-C-O 119.171 -0.794 . . . . 15.41 114.85 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 69.0 m -89.39 160.43 16.82 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.364 1.082 . . . . 20.460000000000001 110.514 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 749' ' ' THR . . . . . . . . . . . . . 82.6 m -49.62 124.6 15.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.06 -0.973 . . . . 39.859999999999999 108.604 172.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 750' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -74.74 151.38 40.84 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 CA-C-O 121.923 0.718 . . . . 19.789999999999999 111.614 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -76.1 -34.97 59.51 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.942 -1.027 . . . . 22.16 111.851 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 752' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -123.81 176.19 6.43 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 125.196 1.399 . . . . 35.43 109.284 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 753' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.56 49.87 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 115.042 0.777 . . . . 44.859999999999999 115.042 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -119.55 21.69 11.98 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 117.685 0.743 . . . . 52.380000000000003 112.109 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 755' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -155.35 119.95 4.74 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.373 -0.531 . . . . 31.219999999999999 109.701 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -86.18 5.92 31.83 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.862 0.689 . . . . 30.170000000000002 112.862 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . -75.11 -176.16 37.63 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-O 122.825 1.236 . . . . 17.789999999999999 112.323 -170.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 16.9 mm -97.42 125.53 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 113.864 -1.168 . . . . 25.98 108.337 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 759' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -127.32 151.6 48.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 16.010000000000002 110.026 -176.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 760' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.27 109.56 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 106.859 -1.534 . . . . 24.329999999999998 106.859 169.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 88.8 p -94.27 -18.22 21.87 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.049 0.759 . . . . 19.140000000000001 113.049 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 762' ' ' ARG . . . . . . . . . . . . . 52.4 ttp85 -153.83 142.41 20.81 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.085 -1.45 . . . . 47.439999999999998 107.085 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.98 120.25 53.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 107.247 -1.39 . . . . 26.530000000000001 107.247 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 764' ' ' SER . . . . . . . . . . . . . 64.1 m -56.31 127.59 31.63 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.481 -0.487 . . . . 44.520000000000003 109.741 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 765' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -50.55 -46.07 57.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.0 -0.546 . . . . 68.019999999999996 111.749 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 766' ' ' GLU . . . . . . . . . . . . . . . -104.94 12.51 32.32 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.044 0.757 . . . . 51.939999999999998 113.044 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -89.72 175.91 42.42 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-O 122.014 0.785 . . . . 34.509999999999998 113.527 -171.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.31 -46.33 25.49 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 N-CA-C 114.053 0.751 . . . . 28.469999999999999 114.053 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.13 99.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.266 -0.574 . . . . 21.789999999999999 111.341 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.07 80.72 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.119 -0.632 . . . . 29.109999999999999 110.507 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 771' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -62.33 -32.6 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.617 -0.433 . . . . 55.009999999999998 111.972 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 772' ' ' ALA . . . . . . . . . . . . . . . -73.52 -11.23 60.38 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.661 0.985 . . . . 25.530000000000001 113.661 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 773' ' ' GLY . . . . . . . . . . . . . . . 101.66 6.47 49.87 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 116.224 1.249 . . . . 25.149999999999999 116.224 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 140.86 18.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 118.9 1.35 . . . . 18.210000000000001 110.328 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 775' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -124.63 144.58 50.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.219 0.533 . . . . 27.18 110.262 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 776' ' ' VAL . . . . . . . . . . . . . 13.1 p -54.68 143.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.12 -0.946 . . . . 30.829999999999998 108.618 172.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . 90.26 -15.16 60.49 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-O 119.155 -0.803 . . . . 14.66 114.739 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 778' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -56.49 135.95 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.997 0.899 . . . . 17.84 110.562 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -93.4 128.32 39.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.842 -0.799 . . . . 24.309999999999999 108.842 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 780' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' A' ' 809' ' ' MET . 8.9 tp -81.48 116.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.545 . . . . 35.329999999999998 109.53 -175.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 78.0 mt -99.68 -34.38 10.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.54 0.57 . . . . 21.899999999999999 112.54 179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 782' ' ' GLU . . . . . 0.65 ' OE1' ' NH1' ' A' ' 810' ' ' ARG . 66.0 tt0 -161.13 145.86 13.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.784 -1.191 . . . . 45.689999999999998 107.784 -172.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.54 113.15 10.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.865 -1.531 . . . . 25.890000000000001 106.865 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 784' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 803' ' ' ALA . 13.4 m-20 50.07 46.43 24.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.968 0.89 . . . . 35.380000000000003 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 84.08 -10.68 60.0 Favored Glycine 0 N--CA 1.441 -0.972 0 CA-C-O 118.536 -1.147 . . . . 32.909999999999997 115.724 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 786' ' ' VAL . . . . . . . . . . . . . 62.5 t -86.31 120.0 35.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 119.277 1.539 . . . . 29.850000000000001 108.306 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -71.33 129.48 38.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 31.18 109.919 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 788' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.45 16.39 16.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.409 -0.517 . . . . 40.939999999999998 112.049 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 789' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' 1010 ' ' HOH . 1.2 mt-30 -79.03 125.61 29.62 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.578 -0.897 . . . . 59.149999999999999 108.578 174.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 68.52 10.76 61.03 Favored Glycine 0 N--CA 1.438 -1.222 0 CA-C-O 118.93 -0.928 . . . . 39.25 114.862 -171.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 791' ' ' ALA . . . . . . . . . . . . . . . -76.33 158.66 31.27 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 118.948 1.374 . . . . 23.210000000000001 110.887 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 792' ' ' GLU . . . . . 0.632 ' OE2' ' O ' ' A' 1003 ' ' HOH . 52.5 mt-10 -73.71 152.47 40.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.694 -1.139 . . . . 47.899999999999999 110.727 167.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 793' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -51.57 -42.17 61.67 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.977 -1.01 . . . . 18.760000000000002 111.34 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 794' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.64 -42.59 91.27 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.203 -0.31 . . . . 28.670000000000002 111.648 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 795' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -41.43 92.77 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 120.058 -0.657 . . . . 58.369999999999997 110.873 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 796' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.37 87.15 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.569 -0.453 . . . . 20.260000000000002 111.049 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 797' ' ' VAL . . . . . . . . . . . . . 78.3 t -57.32 -44.18 83.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 120.437 -0.505 . . . . 27.920000000000002 110.131 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 798' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -64.67 -40.81 96.05 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.794 -0.566 . . . . 51.369999999999997 111.483 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 799' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 803' ' ' ALA . . . -62.74 -41.75 99.34 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.494 -0.882 . . . . 36.259999999999998 110.844 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.51 -38.75 77.73 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.23 -0.988 . . . . 29.16 111.071 -178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 801' ' ' ARG . . . . . 0.453 ' HD2' ' H21' ' A' ' 901' ' ' EDO . 88.0 mtt-85 -77.61 -26.51 50.7 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.955 0.724 . . . . 61.969999999999999 112.955 -174.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 802' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' 1004 ' ' HOH . . . -109.94 16.87 30.31 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.787 -0.72 . . . . 45.32 114.651 -175.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 803' ' ' ALA . . . . . 0.558 ' HB3' ' NH2' ' A' ' 733' ' ' ARG . . . -79.82 -19.4 48.57 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.446 1.276 . . . . 51.960000000000001 114.446 -166.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 804' ' ' GLY . . . . . 0.518 ' O ' ' NE ' ' A' ' 733' ' ' ARG . . . 113.85 -168.79 12.67 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 120.394 1.452 . . . . 58.310000000000002 112.887 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 69.3 p -62.4 -36.1 81.26 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.091 -0.644 . . . . 51.619999999999997 111.793 -172.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 806' ' ' ALA . . . . . . . . . . . . . . . -125.43 148.99 48.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.047 -0.724 . . . . 31.329999999999998 109.047 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.73 122.9 65.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.721 -1.214 . . . . 28.739999999999998 107.721 -176.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 808' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -94.03 123.7 37.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.84 -0.8 . . . . 43.140000000000001 108.84 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 809' ' ' MET . . . . . 0.467 ' HG3' HD11 ' A' ' 780' ' ' LEU . 46.0 ttm -121.03 123.84 43.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.903 -0.777 . . . . 38.840000000000003 108.903 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 810' ' ' ARG . . . . . 0.65 ' NH1' ' OE1' ' A' ' 782' ' ' GLU . 30.0 ttm105 -102.76 124.06 47.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.47 -1.308 . . . . 51.560000000000002 107.47 174.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.04 157.02 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.291 1.043 . . . . 17.530000000000001 109.62 -173.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 812' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -107.61 123.86 49.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.789 -1.096 . . . . 25.960000000000001 108.27 170.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -114.52 124.55 52.18 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.451 -0.203 . . . . 18.690000000000001 110.451 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 814' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.19 118.01 30.43 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.065 0.946 . . . . 47.119999999999997 109.981 170.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 815' ' ' ARG . . . . . 0.937 ' NH1' ' O ' ' A' 1002 ' ' HOH . 24.0 mmt180 -77.59 -21.56 52.22 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.631 0.604 . . . . 63.409999999999997 112.631 167.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -149.14 148.36 29.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.999 -0.741 . . . . 40.590000000000003 108.999 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 77.4 m -124.15 118.78 27.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.529 -0.76 . . . . 24.920000000000002 109.234 -172.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 818' ' ' SER . . . . . . . . . . . . . 8.7 t -69.0 135.32 50.72 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.888 0.742 . . . . 51.710000000000001 110.706 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 120.84 0.352 . . . . 31.559999999999999 111.124 175.26 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 901' ' ' EDO . . . . . 0.453 ' H21' ' HD2' ' A' ' 801' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 902' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 903' ' ' EDO . . . . . 0.507 ' H22' ' OE1' ' A' ' 725' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . 0.951 ' O ' ' OE2' ' A' ' 725' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . 0.937 ' O ' ' NH1' ' A' ' 815' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . 0.632 ' O ' ' OE2' ' A' ' 792' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1004 ' ' HOH . . . . . 0.435 ' O ' ' O ' ' A' ' 802' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1010 ' ' HOH . . . . . 0.441 ' O ' ' NE2' ' A' ' 789' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1014 ' ' HOH . . . . . 0.428 ' O ' ' HG2' ' A' ' 733' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 724' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.442 0 CA-C-O 121.442 0.639 . . . . 49.68 110.119 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 725' ' ' GLU . . . . . 0.951 ' OE2' ' O ' ' A' 1001 ' ' HOH . 8.3 mm-40 -88.98 -36.6 15.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 118.523 -1.271 . . . . 32.630000000000003 111.206 -179.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.14 139.93 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.03 -1.044 . . . . 51.670000000000002 108.582 166.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 727' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.87 153.85 50.94 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.572 -0.899 . . . . 43.640000000000001 108.572 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 92.4 m -119.76 126.45 51.06 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.074 -1.084 . . . . 36.289999999999999 108.074 172.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 12.5 mt -125.13 146.46 49.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.735 -0.839 . . . . 31.050000000000001 108.735 -174.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 730' ' ' THR . . . . . . . . . . . . . 6.5 m -117.97 121.69 41.3 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.439 -0.949 . . . . 32.170000000000002 108.439 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 731' ' ' ILE . . . . . . . . . . . . . 37.7 mt -115.68 124.44 72.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.487 -0.931 . . . . 34.100000000000001 108.487 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 732' ' ' LEU . . . . . . . . . . . . . 4.1 mt -85.25 118.99 25.13 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.815 -0.809 . . . . 47.950000000000003 108.815 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 733' ' ' ARG . . . . . 0.558 ' NH2' ' HB3' ' A' ' 803' ' ' ALA . 1.6 ttm-85 -61.17 152.86 27.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.325 -0.852 . . . . 50.990000000000002 110.444 -177.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 734' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -152.16 167.18 29.36 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.182 0.991 . . . . 68.909999999999997 110.274 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 5.0 t -46.36 123.69 5.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.628 -1.624 . . . . 61.340000000000003 110.571 172.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . 82.38 10.05 84.09 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 115.331 0.893 . . . . 55.549999999999997 115.331 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 737' ' ' GLY . . . . . . . . . . . . . . . 97.66 -172.14 27.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-O 122.9 1.278 . . . . 36.390000000000001 113.736 165.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.7 mt -80.59 -14.91 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 113.724 -1.238 . . . . 31.510000000000002 112.838 -172.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.76 40.1 32.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.026 -0.607 . . . . 24.120000000000001 114.215 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 740' ' ' ILE . . . . . . . . . . . . . 24.0 pt -142.08 163.02 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 107.862 -1.162 . . . . 26.859999999999999 107.862 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 51.1 m -123.21 147.24 47.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 25.82 108.499 166.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 742' ' ' ILE . . . . . . . . . . . . . 26.5 pt -122.44 150.5 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.94 0.876 . . . . 22.16 109.686 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 743' ' ' ALA . . . . . . . . . . . . . . . -137.4 151.17 48.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.354 -1.294 . . . . 17.760000000000002 109.12 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 744' ' ' GLY . . . . . . . . . . . . . . . 96.18 -167.57 25.17 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-O 122.712 1.174 . . . . 17.109999999999999 112.151 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 112.61 153.61 11.76 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.186 -1.166 . . . . 15.210000000000001 110.186 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -60.03 122.08 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.595 -0.442 . . . . 34.289999999999999 110.666 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 90.88 -15.31 61.03 Favored Glycine 0 C--N 1.336 0.578 0 CA-C-O 119.171 -0.794 . . . . 15.41 114.85 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 69.0 m -89.39 160.43 16.82 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.364 1.082 . . . . 20.460000000000001 110.514 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 749' ' ' THR . . . . . . . . . . . . . 82.6 m -49.62 124.6 15.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.06 -0.973 . . . . 39.859999999999999 108.604 172.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 750' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -74.74 151.38 40.84 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 CA-C-O 121.923 0.718 . . . . 19.789999999999999 111.614 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -76.1 -34.97 59.51 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.942 -1.027 . . . . 22.16 111.851 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 752' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -123.81 176.19 6.43 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 125.196 1.399 . . . . 35.43 109.284 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 753' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.56 49.87 Favored Glycine 0 C--N 1.335 0.49 0 N-CA-C 115.042 0.777 . . . . 44.859999999999999 115.042 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -119.55 21.69 11.98 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 117.685 0.743 . . . . 52.380000000000003 112.109 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 755' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -155.35 119.95 4.74 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.373 -0.531 . . . . 31.219999999999999 109.701 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -86.18 5.92 31.83 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.862 0.689 . . . . 30.170000000000002 112.862 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . -75.11 -176.16 37.63 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-O 122.825 1.236 . . . . 17.789999999999999 112.323 -170.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 16.9 mm -97.42 125.53 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 113.864 -1.168 . . . . 25.98 108.337 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 759' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -127.32 151.6 48.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 16.010000000000002 110.026 -176.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 760' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.27 109.56 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 106.859 -1.534 . . . . 24.329999999999998 106.859 169.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 88.8 p -94.27 -18.22 21.87 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.049 0.759 . . . . 19.140000000000001 113.049 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 762' ' ' ARG . . . . . . . . . . . . . 52.4 ttp85 -153.83 142.41 20.81 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.085 -1.45 . . . . 47.439999999999998 107.085 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.98 120.25 53.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 107.247 -1.39 . . . . 26.530000000000001 107.247 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 764' ' ' SER . . . . . . . . . . . . . 64.1 m -56.31 127.59 31.63 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.481 -0.487 . . . . 44.520000000000003 109.741 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 765' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -50.55 -46.07 57.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.0 -0.546 . . . . 68.019999999999996 111.749 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 766' ' ' GLU . . . . . . . . . . . . . . . -104.94 12.51 32.32 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.044 0.757 . . . . 51.939999999999998 113.044 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -89.72 175.91 42.42 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-O 122.014 0.785 . . . . 34.509999999999998 113.527 -171.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.31 -46.33 25.49 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 N-CA-C 114.053 0.751 . . . . 28.469999999999999 114.053 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.13 99.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.266 -0.574 . . . . 21.789999999999999 111.341 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.07 80.72 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.119 -0.632 . . . . 29.109999999999999 110.507 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 771' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -62.33 -32.6 73.38 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.617 -0.433 . . . . 55.009999999999998 111.972 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 772' ' ' ALA . . . . . . . . . . . . . . . -73.52 -11.23 60.38 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.661 0.985 . . . . 25.530000000000001 113.661 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 773' ' ' GLY . . . . . . . . . . . . . . . 101.66 6.47 49.87 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 116.224 1.249 . . . . 25.149999999999999 116.224 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 140.86 18.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 118.9 1.35 . . . . 18.210000000000001 110.328 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 775' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -124.63 144.58 50.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.219 0.533 . . . . 27.18 110.262 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 776' ' ' VAL . . . . . . . . . . . . . 13.1 p -54.68 143.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.12 -0.946 . . . . 30.829999999999998 108.618 172.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . 90.26 -15.16 60.49 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-O 119.155 -0.803 . . . . 14.66 114.739 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 778' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -56.49 135.95 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.997 0.899 . . . . 17.84 110.562 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -93.4 128.32 39.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.842 -0.799 . . . . 24.309999999999999 108.842 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' A' ' 809' ' ' MET . 8.9 tp -81.48 116.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.545 . . . . 35.329999999999998 109.53 -175.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 78.0 mt -99.68 -34.38 10.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.54 0.57 . . . . 21.899999999999999 112.54 179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 782' ' ' GLU . . . . . 0.65 ' OE1' ' NH1' ' A' ' 810' ' ' ARG . 66.0 tt0 -161.13 145.86 13.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.784 -1.191 . . . . 45.689999999999998 107.784 -172.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 783' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.54 113.15 10.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.865 -1.531 . . . . 25.890000000000001 106.865 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 784' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 803' ' ' ALA . 13.4 m-20 50.07 46.43 24.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.968 0.89 . . . . 35.380000000000003 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 84.08 -10.68 60.0 Favored Glycine 0 N--CA 1.441 -0.972 0 CA-C-O 118.536 -1.147 . . . . 32.909999999999997 115.724 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 786' ' ' VAL . . . . . . . . . . . . . 62.5 t -86.31 120.0 35.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 119.277 1.539 . . . . 29.850000000000001 108.306 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -71.33 129.48 38.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 31.18 109.919 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 788' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.45 16.39 16.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.409 -0.517 . . . . 40.939999999999998 112.049 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' 1010 ' ' HOH . 1.2 mt-30 -79.03 125.61 29.62 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.578 -0.897 . . . . 59.149999999999999 108.578 174.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 68.52 10.76 61.03 Favored Glycine 0 N--CA 1.438 -1.222 0 CA-C-O 118.93 -0.928 . . . . 39.25 114.862 -171.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 791' ' ' ALA . . . . . . . . . . . . . . . -76.33 158.66 31.27 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 118.948 1.374 . . . . 23.210000000000001 110.887 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 792' ' ' GLU . . . . . 0.632 ' OE2' ' O ' ' A' 1003 ' ' HOH . 52.5 mt-10 -73.71 152.47 40.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.694 -1.139 . . . . 47.899999999999999 110.727 167.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 793' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -51.57 -42.17 61.67 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.977 -1.01 . . . . 18.760000000000002 111.34 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 794' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -65.64 -42.59 91.27 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.203 -0.31 . . . . 28.670000000000002 111.648 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 795' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -41.43 92.77 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 120.058 -0.657 . . . . 58.369999999999997 110.873 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 796' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.37 87.15 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.569 -0.453 . . . . 20.260000000000002 111.049 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 797' ' ' VAL . . . . . . . . . . . . . 78.3 t -57.32 -44.18 83.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 120.437 -0.505 . . . . 27.920000000000002 110.131 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 798' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -64.67 -40.81 96.05 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.794 -0.566 . . . . 51.369999999999997 111.483 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 799' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 803' ' ' ALA . . . -62.74 -41.75 99.34 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.494 -0.882 . . . . 36.259999999999998 110.844 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.51 -38.75 77.73 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.23 -0.988 . . . . 29.16 111.071 -178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 801' ' ' ARG . . . . . 0.453 ' HD2' ' H21' ' A' ' 901' ' ' EDO . 88.0 mtt-85 -77.61 -26.51 50.7 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.955 0.724 . . . . 61.969999999999999 112.955 -174.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 802' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' 1004 ' ' HOH . . . -109.94 16.87 30.31 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.787 -0.72 . . . . 45.32 114.651 -175.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.558 ' HB3' ' NH2' ' A' ' 733' ' ' ARG . . . -79.82 -19.4 48.57 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.446 1.276 . . . . 51.960000000000001 114.446 -166.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 804' ' ' GLY . . . . . 0.518 ' O ' ' NE ' ' A' ' 733' ' ' ARG . . . 113.85 -168.79 12.67 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 120.394 1.452 . . . . 58.310000000000002 112.887 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 69.3 p -62.4 -36.1 81.26 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.091 -0.644 . . . . 51.619999999999997 111.793 -172.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 806' ' ' ALA . . . . . . . . . . . . . . . -125.43 148.99 48.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.047 -0.724 . . . . 31.329999999999998 109.047 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.73 122.9 65.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.721 -1.214 . . . . 28.739999999999998 107.721 -176.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 808' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -94.03 123.7 37.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.84 -0.8 . . . . 43.140000000000001 108.84 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 809' ' ' MET . . . . . 0.467 ' HG3' HD11 ' A' ' 780' ' ' LEU . 46.0 ttm -121.03 123.84 43.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.903 -0.777 . . . . 38.840000000000003 108.903 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 810' ' ' ARG . . . . . 0.65 ' NH1' ' OE1' ' A' ' 782' ' ' GLU . 30.0 ttm105 -102.76 124.06 47.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.47 -1.308 . . . . 51.560000000000002 107.47 174.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.04 157.02 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.291 1.043 . . . . 17.530000000000001 109.62 -173.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 812' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -107.61 123.86 49.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.789 -1.096 . . . . 25.960000000000001 108.27 170.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -114.52 124.55 52.18 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.451 -0.203 . . . . 18.690000000000001 110.451 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 814' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.19 118.01 30.43 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.065 0.946 . . . . 47.119999999999997 109.981 170.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 815' ' ' ARG . . . . . 0.937 ' NH1' ' O ' ' A' 1002 ' ' HOH . 24.0 mmt180 -77.59 -21.56 52.22 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.631 0.604 . . . . 63.409999999999997 112.631 167.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -149.14 148.36 29.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.999 -0.741 . . . . 40.590000000000003 108.999 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 77.4 m -124.15 118.78 27.66 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.529 -0.76 . . . . 24.920000000000002 109.234 -172.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 818' ' ' SER . . . . . . . . . . . . . 8.7 t -69.0 135.32 50.72 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.888 0.742 . . . . 51.710000000000001 110.706 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 120.84 0.352 . . . . 31.559999999999999 111.124 175.26 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 901' ' ' EDO . . . . . 0.453 ' H21' ' HD2' ' A' ' 801' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 902' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 903' ' ' EDO . . . . . 0.507 ' H22' ' OE1' ' A' ' 725' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . 0.951 ' O ' ' OE2' ' A' ' 725' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . 0.937 ' O ' ' NH1' ' A' ' 815' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . 0.632 ' O ' ' OE2' ' A' ' 792' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' HOH . . . . . 0.435 ' O ' ' O ' ' A' ' 802' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' HOH . . . . . 0.441 ' O ' ' NE2' ' A' ' 789' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' HOH . . . . . 0.428 ' O ' ' HG2' ' A' ' 733' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_