data_4hwj_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 4hwj _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.479 -0.193 . . . . 104.87 110.479 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -85.48 3.67 39.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.294 0.568 . . . . 126.85 109.495 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.96 -31.23 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.321 -0.854 . . . . 89.79 109.383 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 12.3 m -59.67 -39.44 84.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.917 -0.772 . . . . 89.34 108.917 174.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 677' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.12 -43.87 90.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.789 . . . . 124.02 110.284 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -68.05 -27.27 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 77.44 111.935 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 679' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -78.31 -46.29 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.063 0.394 . . . . 79.36 112.063 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 680' ' ' MET . . . . . . . . . . . . . 18.5 mmt -54.88 -45.3 74.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 152.7 111.061 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.44 -27.58 62.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 86.4 111.438 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.13 -42.54 75.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 66.67 110.278 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 683' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.16 -44.38 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.902 -0.59 . . . . 68.88 111.326 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.81 -17.27 54.14 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 115.61 1.004 . . . . 91.83 115.61 -176.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 685' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -76.77 -8.29 57.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.659 0.615 . . . . 92.02 112.659 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -106.44 153.03 40.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.441 -0.345 . . . . 79.81 111.728 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 687' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.63 144.9 50.8 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.614 2.209 . . . . 80.35 110.5 172.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.99 -31.5 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.322 1.23 . . . . 107.82 114.322 -171.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 16.5 pm0 -78.23 -0.94 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.455 . . . . 98.29 112.23 -177.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 690' ' ' LEU . . . . . . . . . . . . . 90.4 mt -122.82 3.48 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.33 0.493 . . . . 63.5 112.33 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 691' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.82 -39.76 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.24 0.829 . . . . 86.13 113.24 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -63.88 -32.75 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 81.32 110.588 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 693' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.7 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 94.9 110.277 177.404 -56.032 -103.503 -111.759 97.575 2.03 104.004 72.555 -174.232 1 1 . 1 . 001 ecloud orig full ' A' A ' 694' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.49 -42.53 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 52.94 110.856 179.26 -176.029 66.223 -103.397 102.864 2.032 106.411 -146.26 -60.399 1 1 . 1 . 001 ecloud orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -61.19 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.887 -0.597 . . . . 79.5 111.77 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 696' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.86 -32.33 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.06 111.445 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -70.56 -18.83 75.89 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 116.124 -0.489 . . . . 35.57 112.759 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 698' ' ' MET . . . . . . . . . . . . . 55.4 mtm -106.91 16.4 24.34 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.283 0.845 . . . . 51.8 113.283 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 699' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -75.63 164.94 25.8 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.648 -0.421 . . . . 99.36 110.211 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 700' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.53 151.31 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 88.24 110.884 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 705' ' ' PHE . 59.2 t30 -123.05 71.22 42.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 112.194 0.442 . . . . 32.77 112.194 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.73 -20.39 26.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.18 1.253 . . . . 34.19 112.812 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' MET . . . . . . . . . . . . . 96.8 mmm -88.62 1.92 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.272 0.358 . . . . 36.1 111.843 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 56.73 32.81 21.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.061 0.763 . . . . 62.28 113.061 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' PHE . . . . . 0.452 ' O ' ' ND2' ' A' ' 701' ' ' ASN . 12.5 m-85 -79.86 150.85 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.501 -0.318 . . . . 32.91 110.791 178.821 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 706' ' ' SER . . . . . . . . . . . . . 83.4 p -71.99 160.43 32.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.423 -0.954 . . . . 40.58 108.423 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' CYS . . . . . . . . . . . . . 96.9 m -61.42 -37.11 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 56.96 110.792 179.881 -69.114 -71.667 -81.653 102.662 2.036 102.307 -93.507 -174.954 1 1 . 1 . 001 ecloud orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.33 -46.28 87.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 73.76 110.788 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -59.12 -36.31 74.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.865 -0.607 . . . . 47.26 112.378 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 710' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -74.63 -2.55 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.479 0.918 . . . . 49.37 113.479 -176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 711' ' ' THR . . . . . . . . . . . . . 43.6 p -104.07 -11.35 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.305 0.483 . . . . 45.5 112.305 -179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -62.94 -34.81 78.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 116.613 2.079 . . . . 83.11 116.613 -167.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -117.88 -1.47 11.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.601 1.334 . . . . 81.09 114.601 -172.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 18.0 pt -79.45 -27.82 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.579 -1.267 . . . . 78.88 107.579 169.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 68.1 m 37.44 58.06 1.32 Allowed 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 116.318 1.97 . . . . 100.66 116.318 169.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 3.8 tt -117.43 91.93 3.71 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.379 0.511 . . . . 83.38 112.379 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 717' ' ' GLY . . . . . . . . . . . . . . . 59.51 -179.29 1.98 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 116.476 1.35 . . . . 85.33 116.476 171.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.57 -23.99 22.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.052 0.453 . . . . 127.22 110.117 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -77.68 -51.42 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.716 . . . . 76.96 112.328 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 720' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.83 -39.42 79.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.57 -0.286 . . . . 106.81 111.573 -177.265 -174.232 72.555 -111.759 104.004 2.03 97.575 -103.503 -56.032 1 1 . 1 . 001 ecloud orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -62.15 -43.6 98.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.441 -0.345 . . . . 80.27 111.545 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.67 -42.63 95.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 94.49 110.602 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 723' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.02 -44.03 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 41.35 111.177 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 724' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -55.14 -45.8 75.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.633 -0.506 . . . . 43.68 109.633 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 725' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.06 -43.6 82.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 64.67 111.965 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -63.23 -49.68 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 79.3 111.48 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 727' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.18 -34.73 78.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 38.75 111.267 -179.219 -60.399 -146.26 -103.397 106.411 2.032 102.864 66.223 -176.029 1 1 . 1 . 001 ecloud orig full ' A' A ' 728' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.42 -49.17 72.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 36.33 110.739 177.707 -174.954 -93.507 -81.653 102.307 2.036 102.662 -71.667 -69.114 1 1 . 1 . 001 ecloud orig full ' A' A ' 729' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -65.11 -31.3 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 47.59 111.862 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 730' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -66.07 -52.74 46.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 46.91 111.445 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 731' ' ' ILE . . . . . . . . . . . . . 6.6 tp -71.45 -28.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.262 0.467 . . . . 36.44 112.262 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 732' ' ' THR . . . . . . . . . . . . . 58.7 m -65.02 -43.25 93.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 46.06 111.075 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -65.84 -39.73 91.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.99 111.194 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 734' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.3 -40.22 95.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 49.24 112.016 177.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 735' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -65.34 -40.76 94.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 49.44 111.343 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.13 -42.0 94.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 60.58 110.991 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.93 -39.13 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 44.16 111.056 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 738' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -68.45 -37.11 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 59.84 111.126 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.72 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 25.19 110.829 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -66.81 -45.11 79.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 28.36 111.223 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 741' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.21 95.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 28.98 111.398 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 70.2 m -64.61 -42.48 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 45.11 110.952 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 743' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.39 -34.21 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 27.98 111.412 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 744' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.34 0.64 55.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 27.8 111.767 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 70.25 21.2 77.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.633 -0.318 . . . . 24.68 113.231 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 746' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.61 -28.79 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 44.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 747' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 77.58 110.621 178.802 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 801' ' ' SO4 . . . . . 0.448 ' O1 ' ' O ' ' A' ' 905' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 905' ' ' HOH . . . . . 0.448 ' O ' ' O1 ' ' A' ' 801' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 906' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 907' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 908' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 909' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 910' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 911' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 912' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 913' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 914' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 915' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 916' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 917' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 918' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 919' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 920' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 921' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 922' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.479 -0.193 . . . . 104.87 110.479 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -85.48 3.67 39.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.294 0.568 . . . . 126.85 109.495 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.96 -31.23 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.321 -0.854 . . . . 89.79 109.383 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 12.3 m -59.67 -39.44 84.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.917 -0.772 . . . . 89.34 108.917 174.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 677' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.12 -43.87 90.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.789 . . . . 124.02 110.284 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -68.05 -27.27 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 77.44 111.935 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 679' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -78.31 -46.29 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.063 0.394 . . . . 79.36 112.063 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 680' ' ' MET . . . . . . . . . . . . . 18.5 mmt -54.88 -45.3 74.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 152.7 111.061 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.44 -27.58 62.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 86.4 111.438 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.13 -42.54 75.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 66.67 110.278 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 683' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.16 -44.38 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.902 -0.59 . . . . 68.88 111.326 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.81 -17.27 54.14 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 115.61 1.004 . . . . 91.83 115.61 -176.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 685' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -76.77 -8.29 57.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.659 0.615 . . . . 92.02 112.659 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -106.44 153.03 40.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.441 -0.345 . . . . 79.81 111.728 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 687' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.63 144.9 50.8 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.614 2.209 . . . . 80.35 110.5 172.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 688' ' ' LYS . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 691' ' ' ARG . 78.5 mttt -55.99 -31.5 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.322 1.23 . . . . 107.82 114.322 -171.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 16.5 pm0 -78.23 -0.94 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.455 . . . . 98.29 112.23 -177.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 690' ' ' LEU . . . . . . . . . . . . . 90.4 mt -122.82 3.48 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.33 0.493 . . . . 63.5 112.33 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 691' ' ' ARG . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 688' ' ' LYS . 99.6 mtt180 -68.82 -39.76 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.24 0.829 . . . . 86.13 113.24 -176.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -63.88 -32.75 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 81.32 110.588 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 693' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.7 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 94.9 110.277 177.404 -56.032 -103.503 -111.759 97.575 2.03 104.004 72.555 -174.232 1 1 . 1 . 001 ecloud build full ' A' A ' 694' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.49 -42.53 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 52.94 110.856 179.26 -176.029 66.223 -103.397 102.864 2.032 106.411 -146.26 -60.399 1 1 . 1 . 001 ecloud build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -61.19 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.887 -0.597 . . . . 79.5 111.77 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 696' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.86 -32.33 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.06 111.445 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -70.56 -18.83 75.89 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 116.124 -0.489 . . . . 35.57 112.759 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 698' ' ' MET . . . . . 0.445 ' HA ' HG21 ' A' ' 731' ' ' ILE . 55.4 mtm -106.91 16.4 24.34 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.283 0.845 . . . . 51.8 113.283 -176.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 699' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -75.63 164.94 25.8 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.648 -0.421 . . . . 99.36 110.211 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 700' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.53 151.31 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 88.24 110.884 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 701' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 705' ' ' PHE . 59.2 t30 -123.05 71.22 42.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 112.194 0.442 . . . . 32.77 112.194 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.73 -20.39 26.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.18 1.253 . . . . 34.19 112.812 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 703' ' ' MET . . . . . . . . . . . . . 96.8 mmm -88.62 1.92 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.272 0.358 . . . . 36.1 111.843 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 56.73 32.81 21.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.061 0.763 . . . . 62.28 113.061 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 705' ' ' PHE . . . . . 0.444 ' O ' ' ND2' ' A' ' 701' ' ' ASN . 12.5 m-85 -79.86 150.85 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.501 -0.318 . . . . 32.91 110.791 178.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 706' ' ' SER . . . . . . . . . . . . . 83.4 p -71.99 160.43 32.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.423 -0.954 . . . . 40.58 108.423 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 707' ' ' CYS . . . . . . . . . . . . . 96.9 m -61.42 -37.11 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 56.96 110.792 179.881 -69.114 -71.667 -81.653 102.662 2.036 102.307 -93.507 -174.954 1 1 . 1 . 001 ecloud build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.33 -46.28 87.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 73.76 110.788 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -59.12 -36.31 74.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.865 -0.607 . . . . 47.26 112.378 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 710' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -74.63 -2.55 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.479 0.918 . . . . 49.37 113.479 -176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 711' ' ' THR . . . . . . . . . . . . . 43.6 p -104.07 -11.35 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.305 0.483 . . . . 45.5 112.305 -179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -62.94 -34.81 78.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 116.613 2.079 . . . . 83.11 116.613 -167.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -117.88 -1.47 11.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.601 1.334 . . . . 81.09 114.601 -172.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 18.0 pt -79.45 -27.82 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.579 -1.267 . . . . 78.88 107.579 169.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 715' ' ' SER . . . . . 0.549 ' HA ' ' HE3' ' A' ' 721' ' ' LYS . 68.1 m 37.44 58.06 1.32 Allowed 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 116.318 1.97 . . . . 100.66 116.318 169.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 3.8 tt -117.43 91.93 3.71 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.379 0.511 . . . . 83.38 112.379 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 717' ' ' GLY . . . . . . . . . . . . . . . 59.51 -179.29 1.98 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 116.476 1.35 . . . . 85.33 116.476 171.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.57 -23.99 22.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.052 0.453 . . . . 127.22 110.117 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -77.68 -51.42 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.716 . . . . 76.96 112.328 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 720' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.83 -39.42 79.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.57 -0.286 . . . . 106.81 111.573 -177.265 -174.232 72.555 -111.759 104.004 2.03 97.575 -103.503 -56.032 1 1 . 1 . 001 ecloud build full ' A' A ' 721' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 715' ' ' SER . 82.1 mttt -62.15 -43.6 98.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.441 -0.345 . . . . 80.27 111.545 177.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.67 -42.63 95.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 94.49 110.602 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 723' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.02 -44.03 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 41.35 111.177 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 724' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -55.14 -45.8 75.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.633 -0.506 . . . . 43.68 109.633 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 725' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.06 -43.6 82.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 64.67 111.965 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -63.23 -49.68 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 79.3 111.48 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 727' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.18 -34.73 78.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 38.75 111.267 -179.219 -60.399 -146.26 -103.397 106.411 2.032 102.864 66.223 -176.029 1 1 . 1 . 001 ecloud build full ' A' A ' 728' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.42 -49.17 72.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 36.33 110.739 177.707 -174.954 -93.507 -81.653 102.307 2.036 102.662 -71.667 -69.114 1 1 . 1 . 001 ecloud build full ' A' A ' 729' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -65.11 -31.3 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 47.59 111.862 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 730' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -66.07 -52.74 46.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 46.91 111.445 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 731' ' ' ILE . . . . . 0.445 HG21 ' HA ' ' A' ' 698' ' ' MET . 6.6 tp -71.45 -28.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.262 0.467 . . . . 36.44 112.262 -176.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 732' ' ' THR . . . . . . . . . . . . . 58.7 m -65.02 -43.25 93.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 46.06 111.075 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -65.84 -39.73 91.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.99 111.194 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 734' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.3 -40.22 95.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 49.24 112.016 177.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 735' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -65.34 -40.76 94.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 49.44 111.343 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.13 -42.0 94.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 60.58 110.991 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.93 -39.13 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 44.16 111.056 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 738' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -68.45 -37.11 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 59.84 111.126 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.72 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 25.19 110.829 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -66.81 -45.11 79.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 28.36 111.223 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 741' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.21 95.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 28.98 111.398 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 70.2 m -64.61 -42.48 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 45.11 110.952 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 743' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.39 -34.21 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 27.98 111.412 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 744' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.34 0.64 55.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 27.8 111.767 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 70.25 21.2 77.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.633 -0.318 . . . . 24.68 113.231 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 746' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.61 -28.79 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 44.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 747' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 77.58 110.621 178.802 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 801' ' ' SO4 . . . . . 0.448 ' O1 ' ' O ' ' A' ' 905' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 905' ' ' HOH . . . . . 0.448 ' O ' ' O1 ' ' A' ' 801' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 906' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 907' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 908' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 909' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 910' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 911' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 912' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 913' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 914' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 915' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 916' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 917' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 918' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 919' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 920' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 921' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 922' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 673' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.479 -0.193 . . . . 104.87 110.479 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -85.48 3.67 39.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.294 0.568 . . . . 126.85 109.495 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.96 -31.23 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.321 -0.854 . . . . 89.79 109.383 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 12.3 m -59.67 -39.44 84.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.917 -0.772 . . . . 89.34 108.917 174.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 677' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.12 -43.87 90.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.789 . . . . 124.02 110.284 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -68.05 -27.27 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 77.44 111.935 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 679' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -78.31 -46.29 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.063 0.394 . . . . 79.36 112.063 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 680' ' ' MET . . . . . . . . . . . . . 18.5 mmt -54.88 -45.3 74.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 152.7 111.061 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.44 -27.58 62.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.967 -0.561 . . . . 86.4 111.438 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.13 -42.54 75.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 66.67 110.278 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 683' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.16 -44.38 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.902 -0.59 . . . . 68.88 111.326 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.81 -17.27 54.14 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 115.61 1.004 . . . . 91.83 115.61 -176.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 685' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -76.77 -8.29 57.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.659 0.615 . . . . 92.02 112.659 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 686' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -106.44 153.03 40.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.441 -0.345 . . . . 79.81 111.728 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 687' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.63 144.9 50.8 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.614 2.209 . . . . 80.35 110.5 172.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 688' ' ' LYS . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 691' ' ' ARG . 78.5 mttt -55.99 -31.5 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.322 1.23 . . . . 107.82 114.322 -171.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 16.5 pm0 -78.23 -0.94 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.455 . . . . 98.29 112.23 -177.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 690' ' ' LEU . . . . . . . . . . . . . 90.4 mt -122.82 3.48 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.33 0.493 . . . . 63.5 112.33 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 691' ' ' ARG . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 688' ' ' LYS . 99.6 mtt180 -68.82 -39.76 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.24 0.829 . . . . 86.13 113.24 -176.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -63.88 -32.75 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 81.32 110.588 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 693' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.7 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 94.9 110.277 177.404 -56.032 -103.503 -111.759 97.575 2.03 104.004 72.555 -174.232 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 694' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.49 -42.53 71.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 52.94 110.856 179.26 -176.029 66.223 -103.397 102.864 2.032 106.411 -146.26 -60.399 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -61.19 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.887 -0.597 . . . . 79.5 111.77 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 696' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.86 -32.33 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.06 111.445 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -70.56 -18.83 75.89 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 116.124 -0.489 . . . . 35.57 112.759 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 698' ' ' MET . . . . . 0.445 ' HA ' HG21 ' A' ' 731' ' ' ILE . 55.4 mtm -106.91 16.4 24.34 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.283 0.845 . . . . 51.8 113.283 -176.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 699' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -75.63 164.94 25.8 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.648 -0.421 . . . . 99.36 110.211 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 700' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.53 151.31 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 88.24 110.884 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 705' ' ' PHE . 59.2 t30 -123.05 71.22 42.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 112.194 0.442 . . . . 32.77 112.194 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.73 -20.39 26.47 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.18 1.253 . . . . 34.19 112.812 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' MET . . . . . . . . . . . . . 96.8 mmm -88.62 1.92 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.272 0.358 . . . . 36.1 111.843 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 56.73 32.81 21.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.061 0.763 . . . . 62.28 113.061 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' PHE . . . . . 0.444 ' O ' ' ND2' ' A' ' 701' ' ' ASN . 12.5 m-85 -79.86 150.85 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.501 -0.318 . . . . 32.91 110.791 178.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 706' ' ' SER . . . . . . . . . . . . . 83.4 p -71.99 160.43 32.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.423 -0.954 . . . . 40.58 108.423 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' CYS . . . . . . . . . . . . . 96.9 m -61.42 -37.11 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 56.96 110.792 179.881 -69.114 -71.667 -81.653 102.662 2.036 102.307 -93.507 -174.954 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.33 -46.28 87.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 73.76 110.788 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 709' ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -59.12 -36.31 74.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.865 -0.607 . . . . 47.26 112.378 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 710' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -74.63 -2.55 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.479 0.918 . . . . 49.37 113.479 -176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 711' ' ' THR . . . . . . . . . . . . . 43.6 p -104.07 -11.35 17.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.305 0.483 . . . . 45.5 112.305 -179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -62.94 -34.81 78.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 116.613 2.079 . . . . 83.11 116.613 -167.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -117.88 -1.47 11.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 114.601 1.334 . . . . 81.09 114.601 -172.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 18.0 pt -79.45 -27.82 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.579 -1.267 . . . . 78.88 107.579 169.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 715' ' ' SER . . . . . 0.549 ' HA ' ' HE3' ' A' ' 721' ' ' LYS . 68.1 m 37.44 58.06 1.32 Allowed 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 116.318 1.97 . . . . 100.66 116.318 169.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 716' ' ' LEU . . . . . . . . . . . . . 3.8 tt -117.43 91.93 3.71 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.379 0.511 . . . . 83.38 112.379 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 717' ' ' GLY . . . . . . . . . . . . . . . 59.51 -179.29 1.98 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 116.476 1.35 . . . . 85.33 116.476 171.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.57 -23.99 22.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.052 0.453 . . . . 127.22 110.117 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -77.68 -51.42 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.716 . . . . 76.96 112.328 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 720' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.83 -39.42 79.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.57 -0.286 . . . . 106.81 111.573 -177.265 -174.232 72.555 -111.759 104.004 2.03 97.575 -103.503 -56.032 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 721' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 715' ' ' SER . 82.1 mttt -62.15 -43.6 98.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.441 -0.345 . . . . 80.27 111.545 177.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.67 -42.63 95.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 94.49 110.602 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 723' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.02 -44.03 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 41.35 111.177 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 724' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -55.14 -45.8 75.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.633 -0.506 . . . . 43.68 109.633 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 725' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.06 -43.6 82.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 64.67 111.965 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -63.23 -49.68 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 79.3 111.48 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 727' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.18 -34.73 78.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 38.75 111.267 -179.219 -60.399 -146.26 -103.397 106.411 2.032 102.864 66.223 -176.029 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 728' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.42 -49.17 72.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 36.33 110.739 177.707 -174.954 -93.507 -81.653 102.307 2.036 102.662 -71.667 -69.114 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 729' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -65.11 -31.3 72.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 47.59 111.862 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 730' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -66.07 -52.74 46.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 46.91 111.445 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 731' ' ' ILE . . . . . 0.445 HG21 ' HA ' ' A' ' 698' ' ' MET . 6.6 tp -71.45 -28.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.262 0.467 . . . . 36.44 112.262 -176.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 732' ' ' THR . . . . . . . . . . . . . 58.7 m -65.02 -43.25 93.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 46.06 111.075 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -65.84 -39.73 91.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.99 111.194 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 734' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.3 -40.22 95.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 49.24 112.016 177.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 735' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -65.34 -40.76 94.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 49.44 111.343 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.13 -42.0 94.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 60.58 110.991 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.93 -39.13 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 44.16 111.056 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 738' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -68.45 -37.11 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 59.84 111.126 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.72 94.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 25.19 110.829 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -66.81 -45.11 79.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 28.36 111.223 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 741' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.21 95.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 28.98 111.398 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 70.2 m -64.61 -42.48 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 45.11 110.952 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 743' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.39 -34.21 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 27.98 111.412 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 744' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.34 0.64 55.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 27.8 111.767 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 70.25 21.2 77.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.633 -0.318 . . . . 24.68 113.231 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 746' ' ' LEU . . . . . . . . . . . . . 72.2 mt -87.61 -28.79 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 44.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 747' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 77.58 110.621 178.802 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 801' ' ' SO4 . . . . . 0.448 ' O1 ' ' O ' ' A' ' 905' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 905' ' ' HOH . . . . . 0.448 ' O ' ' O1 ' ' A' ' 801' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 906' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 907' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 908' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 909' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 910' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 911' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 912' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 913' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 914' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 915' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 916' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 917' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 918' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 919' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 920' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 921' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 922' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_