data_5vpa_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 5vpa _Structure_validation_residue.Date_analyzed 2017-09-01 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 ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 112.689 0.626 . . . . 132.33000000000001 112.689 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -143.12 26.02 1.7 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.642 -0.708 . . . . 185.72 112.433 -172.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -52.83 -35.53 57.39 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.335 -0.946 . . . . 132.72999999999999 110.875 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . . . -61.16 -31.07 70.8 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.63 -0.428 . . . . 126.56999999999999 111.338 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.45 52.86 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.709 -0.396 . . . . 121.97 110.904 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.97 79.95 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.428 -0.509 . . . . 81.969999999999999 111.509 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.4 98.03 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.332 -0.947 . . . . 108.22 111.03 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . . . -65.82 -33.38 75.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.462 -0.495 . . . . 93.620000000000005 111.364 176.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -51.31 69.83 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.544 -0.462 . . . . 91.260000000000005 111.141 177.63 157.346 80.8 89.889 104.784 2.029 104.093 93.447 168.309 2 2 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -70.63 -21.9 62.58 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.63 0.604 . . . . 147.03 112.63 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -85.77 -39.0 17.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.468 0.914 . . . . 131.81 113.468 -170.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . . . -79.79 145.05 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.732 -0.605 . . . . 117.61 110.376 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 53.83 68.48 0.84 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 122.611 1.196 . . . . 160.05000000000001 110.81 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -124.42 -3.18 7.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.296 -1.32 . . . . 134.22 113.73 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 178' ' ' GLU . 23.4 pm0 -56.93 -33.83 67.38 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.84 0.745 . . . . 144.38 111.189 172.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -57.65 6.93 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.039 0.447 . . . . 113.94 110.881 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' THR . . . . . . . . . . . . . 43.5 p -60.16 -38.03 81.95 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.379 -0.373 . . . . 111.38 111.032 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.8 -37.19 67.62 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.933 -0.707 . . . . 100.26000000000001 111.03 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 36.3 ttm105 -66.92 -42.44 85.38 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.926 -0.31 . . . . 140.34999999999999 110.789 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.61 -43.98 97.44 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.352 -0.539 . . . . 112.98 111.265 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.76 -44.05 94.61 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.56 -0.856 . . . . 88.840000000000003 110.82 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.56 -56.41 19.24 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.879 -0.329 . . . . 90.099999999999994 111.193 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . . . -54.47 -40.32 68.33 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 122.166 -0.333 . . . . 24.539999999999999 111.745 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 97.5 m -60.19 -44.28 95.23 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.823 -0.548 . . . . 71.870000000000005 111.105 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.9 -52.09 65.49 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.178 -0.609 . . . . 94.689999999999998 110.634 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -51.87 -38.2 55.12 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.145 -0.347 . . . . 132.97 111.686 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.25 -30.96 66.96 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.378 -0.929 . . . . 80.859999999999999 111.701 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -72.29 -29.52 63.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.975 -0.69 . . . . 100.47 111.138 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -75.37 -48.35 23.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.95 -0.3 . . . . 109.90000000000001 110.59 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -52.2 -46.1 65.48 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.716 0.293 . . . . 64.640000000000001 110.659 172.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -63.07 -29.93 71.2 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.258 -0.577 . . . . 123.48999999999999 111.471 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -70.54 -44.86 66.62 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.985 -0.686 . . . . 83.569999999999993 111.366 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.3 -46.28 89.45 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 122.073 -0.392 . . . . 99.579999999999998 111.116 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 77.2 mt -57.55 -36.01 71.08 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 122.323 -0.235 . . . . 131.52000000000001 111.319 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -73.88 -35.21 64.7 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.304 -0.558 . . . . 86.090000000000003 111.31 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 17.6 p -70.39 -39.19 74.67 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.696 -0.801 . . . . 49.270000000000003 110.652 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.6 -41.58 98.32 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.58 -0.448 . . . . 84.359999999999999 111.209 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.57 -37.22 78.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 119.867 -0.733 . . . . 73.590000000000003 110.229 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.15 71.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.02 -0.672 . . . . 98.239999999999995 110.724 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . . . -55.89 -50.01 71.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.734 0.302 . . . . 92.0 111.186 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.9 -36.63 83.93 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 122.131 -0.356 . . . . 84.700000000000003 111.619 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.34 -34.22 77.48 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.65 -0.82 . . . . 108.3 111.129 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -60.74 -46.17 91.45 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.514 -0.474 . . . . 122.94 110.394 173.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.26 -56.25 15.96 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.046 0.451 . . . . 90.260000000000005 111.24 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' LYS . . . . . 0.445 ' NZ ' ' OE1' ' B' ' 320' ' ' GLN . 87.3 tttt -55.03 -42.59 72.82 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.4 -0.52 . . . . 101.75 111.02 -179.54 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.0 -50.08 75.13 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.82 -0.752 . . . . 121.81 110.293 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.35 -51.27 70.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.891 0.376 . . . . 121.05 111.451 -176.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.026 -0.421 . . . . 76.629999999999995 111.379 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -54.17 -36.0 62.9 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.765 -0.585 . . . . 101.01000000000001 111.433 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -62.9 -30.57 71.64 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.195 0.442 . . . . 135.94999999999999 112.195 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.13 -31.74 25.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 118.032 0.378 . . . . 128.65000000000001 111.113 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.23 -44.29 84.2 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.984 -0.447 . . . . 126.02 111.045 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.14 -9.33 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 112.671 0.619 . . . . 127.23 112.671 -175.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 113.306 0.854 . . . . 137.88999999999999 113.306 178.744 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 275' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.802 0.335 . . . . 125.92 111.639 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 -27.85 16.51 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.067 0.395 . . . . 146.66999999999999 112.067 172.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . . . -54.09 -19.78 5.48 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.731 -0.388 . . . . 126.55 111.078 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 278' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -90.51 -28.74 18.34 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.6 0.76 . . . . 126.41 112.576 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -71.33 -42.62 68.34 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.867 -0.333 . . . . 128.88 111.111 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 280' ' ' ILE . . . . . . . . . . . . . 14.9 tt -73.19 -24.48 20.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 O-C-N 122.298 -0.251 . . . . 122.40000000000001 110.942 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 281' ' ' ALA . . . . . . . . . . . . . . . -81.38 -32.79 32.67 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.155 -0.618 . . . . 109.5 111.462 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 282' ' ' ALA . . . . . 0.454 ' O ' ' SG ' ' B' ' 285' ' ' CYS . . . -70.22 -31.11 68.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.104 -0.638 . . . . 57.25 112.092 172.889 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 58.2 m -77.6 -37.48 50.23 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 121.792 -0.568 . . . . 95.760000000000005 111.591 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 284' ' ' LYS . . . . . . . . . . . . . . . -61.62 -32.88 73.04 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 121.02 -0.272 . . . . 81.519999999999996 111.307 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 285' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' B' ' 282' ' ' ALA . 11.1 t -76.28 -45.85 30.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.751 0.31 . . . . 82.359999999999999 111.215 179.045 168.309 93.447 89.889 104.093 2.029 104.784 80.8 157.346 2 2 . 1 . 001 ecloud orig full ' B' B ' 286' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.72 -42.51 93.27 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.433 -0.507 . . . . 142.69 111.188 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 287' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.64 -33.59 75.34 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.773 -0.58 . . . . 92.319999999999993 112.235 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 288' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.32 -40.23 77.73 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.131 -0.628 . . . . 174.84 111.309 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 289' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -65.97 -46.97 76.16 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.613 -0.435 . . . . 107.93000000000001 111.397 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.4 -48.7 65.53 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 122.152 -0.343 . . . . 47.25 111.205 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 291' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.6 -31.31 72.12 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.951 -0.7 . . . . 134.71000000000001 110.391 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 292' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -46.94 55.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.888 0.375 . . . . 110.63 110.774 178.659 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 293' ' ' ILE . . . . . . . . . . . . . 19.4 mt -60.21 -58.16 8.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.326 0.584 . . . . 70.409999999999997 110.756 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 70.5 m -52.31 -24.28 7.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.479 -0.763 . . . . 92.620000000000005 112.289 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 295' ' ' ARG . . . . . 0.551 ' NH1' ' O ' ' B' ' 502' ' ' HOH . 17.0 mtm105 -70.62 -44.04 68.03 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.028 -1.069 . . . . 109.70999999999999 110.959 175.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.62 -50.6 35.33 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 122.111 -0.368 . . . . 75.950000000000003 111.5 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 297' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -54.19 -40.69 67.8 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.651 -0.42 . . . . 85.469999999999999 111.265 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 298' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.44 -40.79 81.0 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.506 -0.878 . . . . 117.20999999999999 110.855 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 299' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -51.87 -56.52 13.55 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.95 -0.7 . . . . 114.75 110.373 171.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 300' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.0 -36.9 58.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.158 0.504 . . . . 78.290000000000006 110.897 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -65.24 -42.36 93.41 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.559 -0.856 . . . . 117.7 110.494 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' THR . . . . . . . . . . . . . 41.0 p -73.38 -34.2 65.43 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.367 -0.533 . . . . 89.359999999999999 111.598 -176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.78 -41.9 82.5 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.065 -0.654 . . . . 58.049999999999997 111.042 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.16 -42.46 90.81 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.272 -0.571 . . . . 72.150000000000006 111.1 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 26.3 p -69.41 -29.39 67.11 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 122.06 -0.4 . . . . 96.310000000000002 111.851 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -75.65 -35.33 60.46 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.524 -0.471 . . . . 112.0 111.0 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -67.46 -41.37 84.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.904 0.335 . . . . 50.020000000000003 111.904 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' THR . . . . . . . . . . . . . 58.5 p -61.28 -37.69 84.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.09 -1.044 . . . . 71.400000000000006 110.396 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.0 -31.86 61.5 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.637 0.256 . . . . 96.519999999999996 111.623 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.17 -55.36 7.4 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.636 -0.825 . . . . 63.549999999999997 110.367 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' ALA . . . . . . . . . . . . . . . -56.81 -32.62 65.89 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.327 -0.549 . . . . 54.590000000000003 111.677 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' SER . . . . . . . . . . . . . 40.9 t -64.53 -37.89 89.12 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.467 -0.893 . . . . 83.540000000000006 110.193 170.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 97.9 m -71.9 -37.4 70.13 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.982 -0.449 . . . . 72.0 111.176 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.28 68.54 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.327 -0.549 . . . . 42.729999999999997 110.276 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' SER . . . . . . . . . . . . . 30.7 t -48.23 -51.67 24.45 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.769 -0.372 . . . . 119.66 111.237 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.72 -41.16 81.21 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.049 -0.66 . . . . 120.63 111.594 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 317' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.34 -47.28 70.94 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 118.804 -1.159 . . . . 74.700000000000003 111.221 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -49.91 -41.5 46.08 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.725 -0.61 . . . . 179.62 111.403 174.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.5 -45.09 92.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.45 -0.341 . . . . 100.94 111.333 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 320' ' ' GLN . . . . . 0.445 ' OE1' ' NZ ' ' A' ' 208' ' ' LYS . 63.7 mt-30 -69.36 -35.86 76.28 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.879 -0.513 . . . . 127.41 111.182 179.439 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 321' ' ' VAL . . . . . . . . . . . . . 22.2 t -67.92 -37.01 77.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.622 -0.831 . . . . 47.75 109.656 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 322' ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.9 90.49 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 119.498 -0.881 . . . . 63.219999999999999 110.895 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -70.45 -36.33 73.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.47 -0.332 . . . . 97.090000000000003 111.302 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.99 -48.05 69.62 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.566 -0.854 . . . . 95.109999999999999 110.84 174.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 325' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -54.01 -46.99 71.93 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.266 -0.973 . . . . 118.7 110.306 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 326' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.59 -40.39 75.17 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.208 -0.597 . . . . 126.48 111.163 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 327' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -63.63 -32.41 73.87 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.722 -0.391 . . . . 111.7 111.351 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -72.04 -53.34 20.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.689 -0.405 . . . . 82.459999999999994 110.402 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.68 -25.37 64.69 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.644 0.609 . . . . 72.709999999999994 112.644 -176.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 330' ' ' SER . . . . . . . . . . . . . 88.2 p -79.93 6.2 11.87 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 113.083 0.772 . . . . 87.420000000000002 113.083 177.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HIS . . . . . 0.571 ' O ' ' CB ' ' B' ' 332' ' ' VAL . 0.9 OUTLIER -122.01 6.97 9.78 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.092 0.775 . . . . 115.25 113.092 -179.746 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 332' ' ' VAL . . . . . 0.571 ' CB ' ' O ' ' B' ' 331' ' ' HIS . . . . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 81.349999999999994 108.803 173.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 402' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' HOH . . . . . 0.489 ' O ' ' NH2' ' B' ' 295' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' HOH . . . . . 0.551 ' O ' ' NH1' ' B' ' 295' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 112.689 0.626 . . . . 109.93000000000001 112.689 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -143.12 26.02 1.7 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.642 -0.708 . . . . 154.41999999999999 112.433 -172.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -52.83 -35.53 57.39 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.335 -0.946 . . . . 110.27 110.875 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . . . -61.16 -31.07 70.8 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.63 -0.428 . . . . 105.13 111.338 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.45 52.86 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.709 -0.396 . . . . 101.3 110.904 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.97 79.95 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.428 -0.509 . . . . 67.969999999999999 111.509 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.4 98.03 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.332 -0.947 . . . . 106.44 111.03 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . . . -65.82 -33.38 75.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.462 -0.495 . . . . 93.620000000000005 111.364 176.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -51.31 69.83 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.544 -0.462 . . . . 91.260000000000005 111.141 177.63 157.346 80.8 89.889 104.784 2.029 104.093 93.447 168.309 2 2 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -70.63 -21.9 62.58 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.63 0.604 . . . . 122.18000000000001 112.63 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -85.77 -39.0 17.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.468 0.914 . . . . 131.81 113.468 -170.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . . . -79.79 145.05 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.732 -0.605 . . . . 117.61 110.376 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 53.83 68.48 0.84 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 122.611 1.196 . . . . 133.03 110.81 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -124.42 -3.18 7.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.296 -1.32 . . . . 111.51000000000001 113.73 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 178' ' ' GLU . 23.4 pm0 -56.93 -33.83 67.38 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.84 0.745 . . . . 138.61000000000001 111.189 172.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -57.65 6.93 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.039 0.447 . . . . 94.609999999999999 110.881 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' THR . . . . . . . . . . . . . 43.5 p -60.16 -38.03 81.95 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.379 -0.373 . . . . 92.469999999999999 111.032 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.8 -37.19 67.62 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.933 -0.707 . . . . 83.200000000000003 111.03 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 36.3 ttm105 -66.92 -42.44 85.38 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.926 -0.31 . . . . 116.62 110.789 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.61 -43.98 97.44 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.352 -0.539 . . . . 93.810000000000002 111.265 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.76 -44.05 94.61 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.56 -0.856 . . . . 73.689999999999998 110.82 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.56 -56.41 19.24 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.879 -0.329 . . . . 74.739999999999995 111.193 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . . . -54.47 -40.32 68.33 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 122.166 -0.333 . . . . 23.41 111.745 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 97.5 m -60.19 -44.28 95.23 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.823 -0.548 . . . . 65.859999999999999 111.105 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.9 -52.09 65.49 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.178 -0.609 . . . . 78.569999999999993 110.634 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -51.87 -38.2 55.12 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.145 -0.347 . . . . 132.97 111.686 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.25 -30.96 66.96 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.378 -0.929 . . . . 67.040000000000006 111.701 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -72.29 -29.52 63.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.975 -0.69 . . . . 83.390000000000001 111.138 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -75.37 -48.35 23.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.95 -0.3 . . . . 91.239999999999995 110.59 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -52.2 -46.1 65.48 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.716 0.293 . . . . 64.640000000000001 110.659 172.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -63.07 -29.93 71.2 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.258 -0.577 . . . . 102.56999999999999 111.471 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -70.54 -44.86 66.62 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.985 -0.686 . . . . 70.079999999999998 111.366 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.3 -46.28 89.45 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 122.073 -0.392 . . . . 99.579999999999998 111.116 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 77.2 mt -57.55 -36.01 71.08 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 122.323 -0.235 . . . . 109.25 111.319 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -73.88 -35.21 64.7 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.304 -0.558 . . . . 86.090000000000003 111.31 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 17.6 p -70.39 -39.19 74.67 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.696 -0.801 . . . . 40.710000000000001 110.652 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.6 -41.58 98.32 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.58 -0.448 . . . . 84.359999999999999 111.209 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.57 -37.22 78.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 119.867 -0.733 . . . . 60.990000000000002 110.229 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.15 71.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.02 -0.672 . . . . 81.530000000000001 110.724 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . . . -55.89 -50.01 71.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.734 0.302 . . . . 76.329999999999998 111.186 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.9 -36.63 83.93 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 122.131 -0.356 . . . . 70.239999999999995 111.619 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.34 -34.22 77.48 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.65 -0.82 . . . . 89.900000000000006 111.129 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -60.74 -46.17 91.45 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.514 -0.474 . . . . 102.11 110.394 173.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.26 -56.25 15.96 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.046 0.451 . . . . 90.260000000000005 111.24 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.03 -42.59 72.82 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.4 -0.52 . . . . 84.450000000000003 111.02 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.0 -50.08 75.13 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.82 -0.752 . . . . 101.17 110.293 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.35 -51.27 70.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.891 0.376 . . . . 109.98 111.451 -176.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.026 -0.421 . . . . 75.75 111.379 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -54.17 -36.0 62.9 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.765 -0.585 . . . . 90.620000000000005 111.433 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -62.9 -30.57 71.64 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.195 0.442 . . . . 118.43000000000001 112.195 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.13 -31.74 25.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 118.032 0.378 . . . . 106.87 111.113 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.23 -44.29 84.2 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.984 -0.447 . . . . 104.67 111.045 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.14 -9.33 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 112.671 0.619 . . . . 105.68000000000001 112.671 -175.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 113.306 0.854 . . . . 114.56 113.306 178.744 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 275' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.802 0.335 . . . . 106.28 111.639 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 -27.85 16.51 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.067 0.395 . . . . 121.88 112.067 172.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . . . -54.09 -19.78 5.48 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.731 -0.388 . . . . 105.11 111.078 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 278' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -90.51 -28.74 18.34 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.6 0.76 . . . . 105.0 112.576 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -71.33 -42.62 68.34 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.867 -0.333 . . . . 111.01000000000001 111.111 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 280' ' ' ILE . . . . . . . . . . . . . 14.9 tt -73.19 -24.48 20.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 O-C-N 122.298 -0.251 . . . . 101.65000000000001 110.942 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 281' ' ' ALA . . . . . . . . . . . . . . . -81.38 -32.79 32.67 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.155 -0.618 . . . . 90.909999999999997 111.462 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 282' ' ' ALA . . . . . . . . . . . . . . . -70.22 -31.11 68.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.104 -0.638 . . . . 47.369999999999997 112.092 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 58.2 m -77.6 -37.48 50.23 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 121.792 -0.568 . . . . 79.459999999999994 111.591 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 284' ' ' LYS . . . . . . . . . . . . . . . -61.62 -32.88 73.04 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 121.02 -0.272 . . . . 67.590000000000003 111.307 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 285' ' ' CYS . . . . . . . . . . . . . 11.1 t -76.28 -45.85 30.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.751 0.31 . . . . 72.239999999999995 111.215 179.045 168.309 93.447 89.889 104.093 2.029 104.784 80.8 157.346 1 1 . 1 . 001 ecloud build full ' B' B ' 286' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.72 -42.51 93.27 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.433 -0.507 . . . . 118.56 111.188 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 287' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.64 -33.59 75.34 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.773 -0.58 . . . . 76.590000000000003 112.235 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 288' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.32 -40.23 77.73 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.131 -0.628 . . . . 145.36000000000001 111.309 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 289' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -65.97 -46.97 76.16 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.613 -0.435 . . . . 89.599999999999994 111.397 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.4 -48.7 65.53 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 122.152 -0.343 . . . . 39.030000000000001 111.205 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 291' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.6 -31.31 72.12 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.951 -0.7 . . . . 117.55 110.391 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 292' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -46.94 55.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.888 0.375 . . . . 91.849999999999994 110.774 178.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 293' ' ' ILE . . . . . . . . . . . . . 19.4 mt -60.21 -58.16 8.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.326 0.584 . . . . 58.329999999999998 110.756 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 70.5 m -52.31 -24.28 7.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.479 -0.763 . . . . 76.840000000000003 112.289 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 295' ' ' ARG . . . . . 0.551 ' NH1' ' O ' ' B' ' 502' ' ' HOH . 17.0 mtm105 -70.62 -44.04 68.03 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.028 -1.069 . . . . 91.079999999999998 110.959 175.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.62 -50.6 35.33 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 122.111 -0.368 . . . . 62.950000000000003 111.5 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 297' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -54.19 -40.69 67.8 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.651 -0.42 . . . . 78.150000000000006 111.265 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 298' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.44 -40.79 81.0 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.506 -0.878 . . . . 97.329999999999998 110.855 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 299' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -51.87 -56.52 13.55 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.95 -0.7 . . . . 95.280000000000001 110.373 171.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 300' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.0 -36.9 58.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.158 0.504 . . . . 64.900000000000006 110.897 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 301' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -65.24 -42.36 93.41 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.559 -0.856 . . . . 97.739999999999995 110.494 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' THR . . . . . . . . . . . . . 41.0 p -73.38 -34.2 65.43 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.367 -0.533 . . . . 89.359999999999999 111.598 -176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.78 -41.9 82.5 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.065 -0.654 . . . . 49.399999999999999 111.042 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.16 -42.46 90.81 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.272 -0.571 . . . . 59.780000000000001 111.1 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 26.3 p -69.41 -29.39 67.11 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 122.06 -0.4 . . . . 96.310000000000002 111.851 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 306' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -75.65 -35.33 60.46 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.524 -0.471 . . . . 92.989999999999995 111.0 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 307' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -67.46 -41.37 84.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.904 0.335 . . . . 45.460000000000001 111.904 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 308' ' ' THR . . . . . . . . . . . . . 58.5 p -61.28 -37.69 84.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.09 -1.044 . . . . 59.159999999999997 110.396 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 309' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.0 -31.86 61.5 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.637 0.256 . . . . 96.519999999999996 111.623 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.17 -55.36 7.4 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.636 -0.825 . . . . 55.350000000000001 110.367 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 311' ' ' ALA . . . . . . . . . . . . . . . -56.81 -32.62 65.89 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.327 -0.549 . . . . 45.149999999999999 111.677 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 312' ' ' SER . . . . . . . . . . . . . 40.9 t -64.53 -37.89 89.12 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.467 -0.893 . . . . 69.280000000000001 110.193 170.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 97.9 m -71.9 -37.4 70.13 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.982 -0.449 . . . . 59.649999999999999 111.176 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.28 68.54 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.327 -0.549 . . . . 42.729999999999997 110.276 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 315' ' ' SER . . . . . . . . . . . . . 30.7 t -48.23 -51.67 24.45 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.769 -0.372 . . . . 99.370000000000005 111.237 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.72 -41.16 81.21 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.049 -0.66 . . . . 100.18000000000001 111.594 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 317' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.34 -47.28 70.94 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 118.804 -1.159 . . . . 61.909999999999997 111.221 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -49.91 -41.5 46.08 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.725 -0.61 . . . . 149.34 111.403 174.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 319' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.5 -45.09 92.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.45 -0.341 . . . . 100.94 111.333 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -69.36 -35.86 76.28 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.879 -0.513 . . . . 105.84 111.182 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 321' ' ' VAL . . . . . . . . . . . . . 22.2 t -67.92 -37.01 77.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.622 -0.831 . . . . 47.75 109.656 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 322' ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.9 90.49 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 119.498 -0.881 . . . . 52.340000000000003 110.895 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 323' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -70.45 -36.33 73.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.47 -0.332 . . . . 96.870000000000005 111.302 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 324' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.99 -48.05 69.62 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.566 -0.854 . . . . 78.920000000000002 110.84 174.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 325' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -54.01 -46.99 71.93 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.266 -0.973 . . . . 98.569999999999993 110.306 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 326' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.59 -40.39 75.17 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.208 -0.597 . . . . 105.06 111.163 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 327' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -63.63 -32.41 73.87 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.722 -0.391 . . . . 92.739999999999995 111.351 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -72.04 -53.34 20.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.689 -0.405 . . . . 68.379999999999995 110.402 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.68 -25.37 64.69 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.644 0.609 . . . . 72.709999999999994 112.644 -176.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 330' ' ' SER . . . . . . . . . . . . . 88.2 p -79.93 6.2 11.87 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 113.083 0.772 . . . . 72.510000000000005 113.083 177.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HIS . . . . . 0.571 ' O ' ' CB ' ' B' ' 332' ' ' VAL . 0.9 OUTLIER -122.01 6.97 9.78 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.092 0.775 . . . . 99.060000000000002 113.092 -179.746 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 332' ' ' VAL . . . . . 0.571 ' CB ' ' O ' ' B' ' 331' ' ' HIS . . . . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 67.450000000000003 108.803 173.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 401' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 402' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' HOH . . . . . 0.489 ' O ' ' NH2' ' B' ' 295' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 502' ' ' HOH . . . . . 0.551 ' O ' ' NH1' ' B' ' 295' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 112.689 0.626 . . . . 109.93000000000001 112.689 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -143.12 26.02 1.7 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.642 -0.708 . . . . 154.41999999999999 112.433 -172.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -52.83 -35.53 57.39 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.335 -0.946 . . . . 110.27 110.875 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . . . -61.16 -31.07 70.8 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.63 -0.428 . . . . 105.13 111.338 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.45 52.86 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.709 -0.396 . . . . 101.3 110.904 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.97 79.95 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.428 -0.509 . . . . 67.969999999999999 111.509 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.4 98.03 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.332 -0.947 . . . . 106.44 111.03 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . . . -65.82 -33.38 75.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.462 -0.495 . . . . 93.620000000000005 111.364 176.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -51.31 69.83 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.544 -0.462 . . . . 91.260000000000005 111.141 177.63 157.346 80.8 89.889 104.784 2.029 104.093 93.447 168.309 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -70.63 -21.9 62.58 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.63 0.604 . . . . 122.18000000000001 112.63 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -85.77 -39.0 17.6 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.468 0.914 . . . . 131.81 113.468 -170.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . . . -79.79 145.05 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.732 -0.605 . . . . 117.61 110.376 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 53.83 68.48 0.84 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 122.611 1.196 . . . . 133.03 110.81 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -124.42 -3.18 7.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.296 -1.32 . . . . 111.51000000000001 113.73 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 178' ' ' GLU . 23.4 pm0 -56.93 -33.83 67.38 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.84 0.745 . . . . 138.61000000000001 111.189 172.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -57.65 6.93 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.039 0.447 . . . . 94.609999999999999 110.881 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' THR . . . . . . . . . . . . . 43.5 p -60.16 -38.03 81.95 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.379 -0.373 . . . . 92.469999999999999 111.032 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.8 -37.19 67.62 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.933 -0.707 . . . . 83.200000000000003 111.03 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 36.3 ttm105 -66.92 -42.44 85.38 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.926 -0.31 . . . . 116.62 110.789 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.61 -43.98 97.44 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.352 -0.539 . . . . 93.810000000000002 111.265 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.76 -44.05 94.61 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.56 -0.856 . . . . 73.689999999999998 110.82 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.56 -56.41 19.24 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.879 -0.329 . . . . 74.739999999999995 111.193 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . . . -54.47 -40.32 68.33 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 122.166 -0.333 . . . . 23.41 111.745 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 97.5 m -60.19 -44.28 95.23 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.823 -0.548 . . . . 65.859999999999999 111.105 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.9 -52.09 65.49 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.178 -0.609 . . . . 78.569999999999993 110.634 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -51.87 -38.2 55.12 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.145 -0.347 . . . . 132.97 111.686 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.25 -30.96 66.96 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.378 -0.929 . . . . 67.040000000000006 111.701 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -72.29 -29.52 63.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.975 -0.69 . . . . 83.390000000000001 111.138 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -75.37 -48.35 23.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.95 -0.3 . . . . 91.239999999999995 110.59 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -52.2 -46.1 65.48 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.716 0.293 . . . . 64.640000000000001 110.659 172.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -63.07 -29.93 71.2 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.258 -0.577 . . . . 102.56999999999999 111.471 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -70.54 -44.86 66.62 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.985 -0.686 . . . . 70.079999999999998 111.366 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.3 -46.28 89.45 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 122.073 -0.392 . . . . 99.579999999999998 111.116 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 77.2 mt -57.55 -36.01 71.08 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 122.323 -0.235 . . . . 109.25 111.319 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -73.88 -35.21 64.7 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.304 -0.558 . . . . 86.090000000000003 111.31 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 17.6 p -70.39 -39.19 74.67 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.696 -0.801 . . . . 40.710000000000001 110.652 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.6 -41.58 98.32 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.58 -0.448 . . . . 84.359999999999999 111.209 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.57 -37.22 78.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 119.867 -0.733 . . . . 60.990000000000002 110.229 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.15 71.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.02 -0.672 . . . . 81.530000000000001 110.724 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . . . -55.89 -50.01 71.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.734 0.302 . . . . 76.329999999999998 111.186 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.9 -36.63 83.93 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 122.131 -0.356 . . . . 70.239999999999995 111.619 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.34 -34.22 77.48 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.65 -0.82 . . . . 89.900000000000006 111.129 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -60.74 -46.17 91.45 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.514 -0.474 . . . . 102.11 110.394 173.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.26 -56.25 15.96 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.046 0.451 . . . . 90.260000000000005 111.24 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.03 -42.59 72.82 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.4 -0.52 . . . . 84.450000000000003 111.02 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.0 -50.08 75.13 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.82 -0.752 . . . . 101.17 110.293 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.35 -51.27 70.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.891 0.376 . . . . 109.98 111.451 -176.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 32.7 mt -63.07 -48.92 76.57 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.026 -0.421 . . . . 75.75 111.379 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -54.17 -36.0 62.9 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.765 -0.585 . . . . 90.620000000000005 111.433 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -62.9 -30.57 71.64 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.195 0.442 . . . . 118.43000000000001 112.195 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.13 -31.74 25.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 118.032 0.378 . . . . 106.87 111.113 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.23 -44.29 84.2 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.984 -0.447 . . . . 104.67 111.045 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.14 -9.33 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 112.671 0.619 . . . . 105.68000000000001 112.671 -175.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 113.306 0.854 . . . . 114.56 113.306 178.744 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 275' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.802 0.335 . . . . 106.28 111.639 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 -27.85 16.51 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 112.067 0.395 . . . . 121.88 112.067 172.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . . . -54.09 -19.78 5.48 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.731 -0.388 . . . . 105.11 111.078 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 278' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -90.51 -28.74 18.34 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.6 0.76 . . . . 105.0 112.576 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -71.33 -42.62 68.34 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.867 -0.333 . . . . 111.01000000000001 111.111 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 280' ' ' ILE . . . . . . . . . . . . . 14.9 tt -73.19 -24.48 20.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 O-C-N 122.298 -0.251 . . . . 101.65000000000001 110.942 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 281' ' ' ALA . . . . . . . . . . . . . . . -81.38 -32.79 32.67 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.155 -0.618 . . . . 90.909999999999997 111.462 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 282' ' ' ALA . . . . . . . . . . . . . . . -70.22 -31.11 68.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.104 -0.638 . . . . 47.369999999999997 112.092 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 58.2 m -77.6 -37.48 50.23 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 121.792 -0.568 . . . . 79.459999999999994 111.591 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 284' ' ' LYS . . . . . . . . . . . . . . . -61.62 -32.88 73.04 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 121.02 -0.272 . . . . 67.590000000000003 111.307 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 285' ' ' CYS . . . . . . . . . . . . . 11.1 t -76.28 -45.85 30.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.751 0.31 . . . . 72.239999999999995 111.215 179.045 168.309 93.447 89.889 104.093 2.029 104.784 80.8 157.346 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 286' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.72 -42.51 93.27 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.433 -0.507 . . . . 118.56 111.188 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 287' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.64 -33.59 75.34 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.773 -0.58 . . . . 76.590000000000003 112.235 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 288' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.32 -40.23 77.73 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.131 -0.628 . . . . 145.36000000000001 111.309 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 289' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -65.97 -46.97 76.16 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.613 -0.435 . . . . 89.599999999999994 111.397 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 290' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.4 -48.7 65.53 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 122.152 -0.343 . . . . 39.030000000000001 111.205 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 291' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.6 -31.31 72.12 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.951 -0.7 . . . . 117.55 110.391 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 292' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -46.94 55.48 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.888 0.375 . . . . 91.849999999999994 110.774 178.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 293' ' ' ILE . . . . . . . . . . . . . 19.4 mt -60.21 -58.16 8.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.326 0.584 . . . . 58.329999999999998 110.756 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 70.5 m -52.31 -24.28 7.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.479 -0.763 . . . . 76.840000000000003 112.289 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 295' ' ' ARG . . . . . 0.551 ' NH1' ' O ' ' B' ' 502' ' ' HOH . 17.0 mtm105 -70.62 -44.04 68.03 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.028 -1.069 . . . . 91.079999999999998 110.959 175.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.62 -50.6 35.33 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 122.111 -0.368 . . . . 62.950000000000003 111.5 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 297' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -54.19 -40.69 67.8 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.651 -0.42 . . . . 78.150000000000006 111.265 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 298' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.44 -40.79 81.0 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.506 -0.878 . . . . 97.329999999999998 110.855 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 299' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -51.87 -56.52 13.55 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.95 -0.7 . . . . 95.280000000000001 110.373 171.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 300' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.0 -36.9 58.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.158 0.504 . . . . 64.900000000000006 110.897 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -65.24 -42.36 93.41 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.559 -0.856 . . . . 97.739999999999995 110.494 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' THR . . . . . . . . . . . . . 41.0 p -73.38 -34.2 65.43 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.367 -0.533 . . . . 89.359999999999999 111.598 -176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.78 -41.9 82.5 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.065 -0.654 . . . . 49.399999999999999 111.042 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.16 -42.46 90.81 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.272 -0.571 . . . . 59.780000000000001 111.1 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 26.3 p -69.41 -29.39 67.11 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 122.06 -0.4 . . . . 96.310000000000002 111.851 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -75.65 -35.33 60.46 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.524 -0.471 . . . . 92.989999999999995 111.0 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -67.46 -41.37 84.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.904 0.335 . . . . 45.460000000000001 111.904 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' THR . . . . . . . . . . . . . 58.5 p -61.28 -37.69 84.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.09 -1.044 . . . . 59.159999999999997 110.396 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.0 -31.86 61.5 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.637 0.256 . . . . 96.519999999999996 111.623 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.17 -55.36 7.4 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.636 -0.825 . . . . 55.350000000000001 110.367 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' ALA . . . . . . . . . . . . . . . -56.81 -32.62 65.89 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.327 -0.549 . . . . 45.149999999999999 111.677 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' SER . . . . . . . . . . . . . 40.9 t -64.53 -37.89 89.12 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.467 -0.893 . . . . 69.280000000000001 110.193 170.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 97.9 m -71.9 -37.4 70.13 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.982 -0.449 . . . . 59.649999999999999 111.176 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.28 68.54 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.327 -0.549 . . . . 42.729999999999997 110.276 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' SER . . . . . . . . . . . . . 30.7 t -48.23 -51.67 24.45 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.769 -0.372 . . . . 99.370000000000005 111.237 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.72 -41.16 81.21 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.049 -0.66 . . . . 100.18000000000001 111.594 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 317' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.34 -47.28 70.94 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 118.804 -1.159 . . . . 61.909999999999997 111.221 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 318' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -49.91 -41.5 46.08 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.725 -0.61 . . . . 149.34 111.403 174.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.5 -45.09 92.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.45 -0.341 . . . . 100.94 111.333 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -69.36 -35.86 76.28 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.879 -0.513 . . . . 105.84 111.182 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 321' ' ' VAL . . . . . . . . . . . . . 22.2 t -67.92 -37.01 77.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.622 -0.831 . . . . 47.75 109.656 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 322' ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.9 90.49 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 119.498 -0.881 . . . . 52.340000000000003 110.895 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -70.45 -36.33 73.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.47 -0.332 . . . . 96.870000000000005 111.302 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' LEU . . . . . . . . . . . . . 25.5 mt -66.99 -48.05 69.62 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.566 -0.854 . . . . 78.920000000000002 110.84 174.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 325' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -54.01 -46.99 71.93 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.266 -0.973 . . . . 98.569999999999993 110.306 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 326' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.59 -40.39 75.17 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.208 -0.597 . . . . 105.06 111.163 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 327' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -63.63 -32.41 73.87 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.722 -0.391 . . . . 92.739999999999995 111.351 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -72.04 -53.34 20.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.689 -0.405 . . . . 68.379999999999995 110.402 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.68 -25.37 64.69 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.644 0.609 . . . . 72.709999999999994 112.644 -176.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 330' ' ' SER . . . . . . . . . . . . . 88.2 p -79.93 6.2 11.87 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 113.083 0.772 . . . . 72.510000000000005 113.083 177.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HIS . . . . . 0.571 ' O ' ' CB ' ' B' ' 332' ' ' VAL . 0.9 OUTLIER -122.01 6.97 9.78 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.092 0.775 . . . . 99.060000000000002 113.092 -179.746 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 332' ' ' VAL . . . . . 0.571 ' CB ' ' O ' ' B' ' 331' ' ' HIS . . . . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 67.450000000000003 108.803 173.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 402' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' HOH . . . . . 0.489 ' O ' ' NH2' ' B' ' 295' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' HOH . . . . . 0.551 ' O ' ' NH1' ' B' ' 295' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_